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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, (S)-

SMILES

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

InChI

InChIKey=NZQMQVJXSRMTCJ-LURJTMIESA-N
InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m0/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 09:33:00 GMT 2023
Edited
by admin
on Sat Dec 16 09:33:00 GMT 2023
Record UNII
M08DVL4I6F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLHEXANOIC ACID, (S)-
Systematic Name English
(S)-(-)-3-METHYLCAPROIC ACID
Systematic Name English
HEXANOIC ACID, 3-METHYL-, (3S)-
Systematic Name English
HEXANOIC ACID, 3-METHYL-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
M08DVL4I6F
Created by admin on Sat Dec 16 09:33:00 GMT 2023 , Edited by admin on Sat Dec 16 09:33:00 GMT 2023
PRIMARY
PUBCHEM
11228813
Created by admin on Sat Dec 16 09:33:00 GMT 2023 , Edited by admin on Sat Dec 16 09:33:00 GMT 2023
PRIMARY
CAS
35666-77-4
Created by admin on Sat Dec 16 09:33:00 GMT 2023 , Edited by admin on Sat Dec 16 09:33:00 GMT 2023
PRIMARY