Consensus flow list

Methyl 2-hydroxypropanoate

fo-9c59f68dc499cebd

Identity

Type
Neutral molecule
CAS
17392-83-5
EC
241-420-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Methyl 2-hydroxypropanoate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LPEKGGXMPWTOCB-GSVOUGTGSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string COC(=O)[C@@H](C)O
IUPAC name chemrof:IUPAC_name (R)-(+)-lactic acid methyl ester
Molecular formula chemrof:molecular_formula C4H8O3
Molecular mass chemrof:molecular_mass 104.105
Monoisotopic mass chemrof:monoisotopic_mass 104.04734, 104.047344
SMILES string chemrof:smiles_string COC(=O)C(C)O

Known URLs

10

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=17392-83-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74611 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.639 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201045071 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/45MZ1T3TBV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.669G enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-3621 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/637514 enrich_references.pubchem_compound
reaxys reaxys:1720588 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27144784 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f699c59b-af9a-4b98-a3b2-ac7a10fa3fac Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e01da1ce-3c30-4e3c-98e2-aa6f4019d491 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
21443c15-f3a0-4537-82fd-427f06878901 Environmental → Air → Indoor EF 3.1 kg 4
281799c9-8109-44a3-8c84-18e45767e1bf Environmental → Air → Long-term EF 3.1 kg 0
f0086d49-6de7-4e5a-b7db-889a41ed00fe Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
70f9d3cb-c9d7-4275-82d6-730f9094638c Environmental → Air → Unknown EF 3.1 kg 4
3d6e11a3-58a8-4ce2-a202-1df1b995bc23 Environmental → Ground → Agricultural EF 3.1 kg 4
15d621ee-e14a-4a07-b031-c5e17439a771 Environmental → Ground → Non-agricultural EF 3.1 kg 4
dcdb9131-9c77-4492-a900-fc0daa96b6bf Environmental → Ground → Unknown EF 3.1 kg 4
84fc17db-ed4c-4fc9-b8e8-bc7990e2822f Environmental → Water → Long-term EF 3.1 kg 0
d8f31ffa-9d80-4b7b-92c1-c178de05b36e Environmental → Water → Ocean EF 3.1 kg 4
2acf670b-abdf-4144-a21f-2e5171dc4bad Environmental → Water → Surface water EF 3.1 kg 4
cc21fb56-f24d-4a86-8477-8e82d5771f29 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9c59f68dc499cebd",
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    {
      "@value": "Methyl 2-hydroxypropanoate",
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  ],
  "altLabel": [
    {
      "@value": "(2R)-2-Hydroxypropanoic acid methyl ester",
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      "@value": "(R)-2-Hydroxypropionic acid methyl ester",
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    },
    {
      "@value": "(R)-methyl lactate",
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