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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H12O3
Molecular Weight 144.1684
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTANOIC ACID, 2-METHYL-3-OXO-, ETHYL ESTER, (S)-

SMILES

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

InChI

InChIKey=FNENWZWNOPCZGK-YFKPBYRVSA-N
InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H12O3
Molecular Weight 144.1684
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 Sat Dec 16 05:45:33 GMT 2023
Edited
by admin
on Sat Dec 16 05:45:33 GMT 2023
Record UNII
0KK1QI203I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTANOIC ACID, 2-METHYL-3-OXO-, ETHYL ESTER, (S)-
Common Name English
Code System Code Type Description
CAS
66841-52-9
Created by admin on Sat Dec 16 05:45:33 GMT 2023 , Edited by admin on Sat Dec 16 05:45:33 GMT 2023
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PUBCHEM
643167
Created by admin on Sat Dec 16 05:45:33 GMT 2023 , Edited by admin on Sat Dec 16 05:45:33 GMT 2023
PRIMARY
FDA UNII
0KK1QI203I
Created by admin on Sat Dec 16 05:45:33 GMT 2023 , Edited by admin on Sat Dec 16 05:45:33 GMT 2023
PRIMARY