U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 2-HYDROXY-4-PHENYLBUTYRATE, (2S)-

SMILES

CCOC(=O)[C@@H](O)CCC1=CC=CC=C1

InChI

InChIKey=ZJYKSSGYDPNKQS-NSHDSACASA-N
InChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/t11-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ETHYL 2-HYDROXY-4-PHENYLBUTYRATE, (2S)-
Common Name English
ETHYL 2-HYDROXY-4-PHENYLBUTYRATE, (+)-
Systematic Name English
BENZENEBUTANOIC ACID, .ALPHA.-HYDROXY-, ETHYL ESTER, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90450893
Created by admin on Sat Dec 16 13:45:51 UTC 2023 , Edited by admin on Sat Dec 16 13:45:51 UTC 2023
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FDA UNII
2828BZ7CJW
Created by admin on Sat Dec 16 13:45:51 UTC 2023 , Edited by admin on Sat Dec 16 13:45:51 UTC 2023
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CAS
125639-64-7
Created by admin on Sat Dec 16 13:45:51 UTC 2023 , Edited by admin on Sat Dec 16 13:45:51 UTC 2023
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PUBCHEM
10987483
Created by admin on Sat Dec 16 13:45:51 UTC 2023 , Edited by admin on Sat Dec 16 13:45:51 UTC 2023
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