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Details

Stereochemistry ABSOLUTE
Molecular Formula C5H10O3
Molecular Weight 118.1311
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-HYDROXYBUTYRATE, (S)-

SMILES

COC(=O)C[C@H](C)O

InChI

InChIKey=LDLDJEAVRNAEBW-BYPYZUCNSA-N
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C5H10O3
Molecular Weight 118.1311
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:39:30 GMT 2025
Edited
by admin
on Mon Mar 31 20:39:30 GMT 2025
Record UNII
G10281A5AH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4450, (+)-
Preferred Name English
METHYL 3-HYDROXYBUTYRATE, (S)-
Systematic Name English
(+)-(3S)-3-HYDROXYBUTANOIC ACID METHYL ESTER
Systematic Name English
(3S)-3-HYDROXYBUTANOIC ACID METHYL ESTER
Systematic Name English
(S)-METHYL 3-HYDROXYBUTANOATE
Systematic Name English
METHYL 3-HYDROXYBUTYRATE, (+)-
Systematic Name English
(S)-3-HYDROXYBUTANOIC ACID METHYL ESTER
Systematic Name English
(S)-3-HYDROXYBUTYRIC ACID METHYL ESTER
Systematic Name English
BUTANOIC ACID, 3-HYDROXY-, METHYL ESTER, (S)-
Common Name English
METHYL (S)-3-HYDROXYBUTYRATE
Systematic Name English
BUTANOIC ACID, 3-HYDROXY-, METHYL ESTER, (3S)-
Common Name English
Code System Code Type Description
FDA UNII
G10281A5AH
Created by admin on Mon Mar 31 20:39:30 GMT 2025 , Edited by admin on Mon Mar 31 20:39:30 GMT 2025
PRIMARY
CAS
53562-86-0
Created by admin on Mon Mar 31 20:39:30 GMT 2025 , Edited by admin on Mon Mar 31 20:39:30 GMT 2025
PRIMARY
PUBCHEM
6950307
Created by admin on Mon Mar 31 20:39:30 GMT 2025 , Edited by admin on Mon Mar 31 20:39:30 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-628-8
Created by admin on Mon Mar 31 20:39:30 GMT 2025 , Edited by admin on Mon Mar 31 20:39:30 GMT 2025
PRIMARY