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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H16O3
Molecular Weight 172.2215
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ISOPROPYL-5-OXOHEXANOIC ACID, (2S)-

SMILES

CC(C)[C@H](CCC(C)=O)C(O)=O

InChI

InChIKey=GBNBHMJSMSODSZ-QMMMGPOBSA-N
InChI=1S/C9H16O3/c1-6(2)8(9(11)12)5-4-7(3)10/h6,8H,4-5H2,1-3H3,(H,11,12)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H16O3
Molecular Weight 172.2215
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 14:11:07 GMT 2023
Edited
by admin
on Sat Dec 16 14:11:07 GMT 2023
Record UNII
145XO351Y2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ISOPROPYL-5-OXOHEXANOIC ACID, (2S)-
Systematic Name English
(-)-2-ISOPROPYL-5-OXOHEXANOIC ACID
Common Name English
(2S)-2-(1-METHYLETHYL)-5-OXOHEXANOIC ACID
Systematic Name English
HEXANOIC ACID, 2-ISOPROPYL-5-OXO-, (-)-
Common Name English
HEXANOIC ACID, 2-(1-METHYLETHYL)-5-OXO-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
145XO351Y2
Created by admin on Sat Dec 16 14:11:07 GMT 2023 , Edited by admin on Sat Dec 16 14:11:07 GMT 2023
PRIMARY
PUBCHEM
919477
Created by admin on Sat Dec 16 14:11:07 GMT 2023 , Edited by admin on Sat Dec 16 14:11:07 GMT 2023
PRIMARY
CAS
16825-90-4
Created by admin on Sat Dec 16 14:11:07 GMT 2023 , Edited by admin on Sat Dec 16 14:11:07 GMT 2023
PRIMARY