Consensus flow list

Propyl (2s)-2-hydroxypropanoate

fo-1d566ffd74f88989

Identity

Type
Neutral molecule
CAS
53651-69-7
EC
611-025-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Propyl (2s)-2-hydroxypropanoate

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

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ILVGAIQLOCKNQA-YFKPBYRVSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCCOC(=O)[C@H](C)O
IUPAC name chemrof:IUPAC_name Propyl (2s)-2-hydroxypropanoate
Molecular formula chemrof:molecular_formula C6H12O3
Molecular mass chemrof:molecular_mass 132.159
Monoisotopic mass chemrof:monoisotopic_mass 132.078644
SMILES string chemrof:smiles_string CCCOC(=O)C(C)O

Known URLs

7

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=53651-69-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.133.805 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3042344 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/71C4733FP5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.354.033K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2734942 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27265954 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
98fed999-284f-447b-a302-73c707b44847 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
24d9a720-07d1-4dbc-b11d-c878603f5fd4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
06cc4269-8a32-4a24-af9b-8ef21481c849 Environmental → Air → Indoor EF 3.1 kg 4
6ace65b5-0641-47df-94dc-dd126ada51ac Environmental → Air → Long-term EF 3.1 kg 0
0fd6e7ef-1a3d-48d4-8b9e-c10c3ba21497 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
76e5af11-47a7-4b2f-8365-ae9fce8922b4 Environmental → Air → Unknown EF 3.1 kg 4
de63a943-a87b-4767-a707-a9506fda2ad8 Environmental → Ground → Agricultural EF 3.1 kg 4
08ec6a3c-4db7-467d-b534-fbf67c313014 Environmental → Ground → Non-agricultural EF 3.1 kg 4
0dd27b64-a036-4f18-a371-9178e24fdecf Environmental → Ground → Unknown EF 3.1 kg 4
61c3da29-1d18-45c3-9129-f7166b550325 Environmental → Water → Long-term EF 3.1 kg 0
49a8a9af-7cf2-4636-9df9-4aff07625333 Environmental → Water → Ocean EF 3.1 kg 4
075b1430-1cef-4de8-b9c3-9ba8fb5aec8a Environmental → Water → Surface water EF 3.1 kg 4
11b807c0-514a-4d35-b5b5-e18e399e473d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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}

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