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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H14O2
Molecular Weight 130.1849
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLHEXANOIC ACID, (R)-

SMILES

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

InChI

InChIKey=NZQMQVJXSRMTCJ-ZCFIWIBFSA-N
InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H14O2
Molecular Weight 130.1849
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 09:34:21 GMT 2023
Edited
by admin
on Sat Dec 16 09:34:21 GMT 2023
Record UNII
K4LA3OW7N0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLHEXANOIC ACID, (R)-
Systematic Name English
HEXANOIC ACID, 3-METHYL-, (3R)-
Systematic Name English
HEXANOIC ACID, 3-METHYL-, (R)-
Systematic Name English
(3R)-3-METHYLHEXANOIC ACID
Systematic Name English
HEXANOIC ACID, 3-METHYL-, (R)-(+)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11355493
Created by admin on Sat Dec 16 09:34:21 GMT 2023 , Edited by admin on Sat Dec 16 09:34:21 GMT 2023
PRIMARY
CAS
22328-90-1
Created by admin on Sat Dec 16 09:34:21 GMT 2023 , Edited by admin on Sat Dec 16 09:34:21 GMT 2023
PRIMARY
FDA UNII
K4LA3OW7N0
Created by admin on Sat Dec 16 09:34:21 GMT 2023 , Edited by admin on Sat Dec 16 09:34:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID501311491
Created by admin on Sat Dec 16 09:34:21 GMT 2023 , Edited by admin on Sat Dec 16 09:34:21 GMT 2023
PRIMARY