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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methylnonanoic acid, (3S)-

SMILES

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

InChI

InChIKey=ZDIXEQISPGRDEB-VIFPVBQESA-N
InChI=1S/C10H20O2/c1-3-4-5-6-7-9(2)8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
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 Wed Apr 02 19:16:29 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:29 GMT 2025
Record UNII
ZP638UKG65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S)-3-Methylnonanoic acid
Preferred Name English
3-Methylnonanoic acid, (3S)-
Systematic Name English
Nonanoic acid, 3-methyl-, (3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
ZP638UKG65
Created by admin on Wed Apr 02 19:16:29 GMT 2025 , Edited by admin on Wed Apr 02 19:16:29 GMT 2025
PRIMARY
PUBCHEM
12513823
Created by admin on Wed Apr 02 19:16:29 GMT 2025 , Edited by admin on Wed Apr 02 19:16:29 GMT 2025
PRIMARY
CAS
59614-86-7
Created by admin on Wed Apr 02 19:16:29 GMT 2025 , Edited by admin on Wed Apr 02 19:16:29 GMT 2025
PRIMARY
Related Record Type Details
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ENANTIOMER -> ENANTIOMER