Consensus flow list

Methyl 2-hydroxypropanoate

fo-67092bdfae4327f6

Identity

Type
Neutral molecule
CAS
27871-49-4
EC
248-704-9
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

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LPEKGGXMPWTOCB-VKHMYHEASA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string COC(=O)[C@H](C)O
IUPAC name chemrof:IUPAC_name (S)-(-)-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

11

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=27871-49-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83222 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.262 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9074359 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0379G9C44S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J183.056B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94386 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10835235 enrich_references.chebi_xrefs
reaxys reaxys:1720587 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1431993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27156697 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2e8e0b6d-7f9e-49cb-86ca-a807a061519e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4465c50f-c9c9-40eb-9c57-736d89337a5e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c90a42f9-2951-4a8d-9caf-0a755de95be8 Environmental → Air → Indoor EF 3.1 kg 4
782e6251-f11d-4e71-9316-dc71abc7fd85 Environmental → Air → Long-term EF 3.1 kg 0
9ff4e53b-4d1c-47dc-ac7f-ed1139c5dc1c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
831444c9-3da7-4e50-a213-1673d6820418 Environmental → Air → Unknown EF 3.1 kg 4
2fd52568-25ec-4afd-910a-dad38768a86f Environmental → Ground → Agricultural EF 3.1 kg 4
922225d6-bf6a-4557-9ec7-b3aca1cc4672 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1588db63-96e4-470b-b836-f02f4d2c39cd Environmental → Ground → Unknown EF 3.1 kg 4
c7e55d87-f691-47b2-bf2b-242f13d50933 Environmental → Water → Long-term EF 3.1 kg 0
cac92a61-262d-481e-a0b3-420a9ff44d30 Environmental → Water → Ocean EF 3.1 kg 4
30bb80e6-b8fc-4e45-a755-d05aa0763b4f Environmental → Water → Surface water EF 3.1 kg 4
df1dc0e1-37b9-4e83-ab7a-fbee7b4b0424 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-67092bdfae4327f6",
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    {
      "@value": "Methyl 2-hydroxypropanoate",
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    {
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