U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

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

SHOW SMILES / InChI
Structure of 3-Methylnonanoic acid

SMILES

CCCCCCC(C)CC(O)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:39:57 GMT 2025
Edited
by admin
on Wed Apr 02 11:39:57 GMT 2025
Record UNII
2Z3MD2X3AF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methylnonanoic acid
Systematic Name English
NSC-30203
Preferred Name English
Nonanoic acid, 3-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
2Z3MD2X3AF
Created by admin on Wed Apr 02 11:39:57 GMT 2025 , Edited by admin on Wed Apr 02 11:39:57 GMT 2025
PRIMARY
CAS
35205-79-9
Created by admin on Wed Apr 02 11:39:57 GMT 2025 , Edited by admin on Wed Apr 02 11:39:57 GMT 2025
PRIMARY
NSC
30203
Created by admin on Wed Apr 02 11:39:57 GMT 2025 , Edited by admin on Wed Apr 02 11:39:57 GMT 2025
PRIMARY
PUBCHEM
232569
Created by admin on Wed Apr 02 11:39:57 GMT 2025 , Edited by admin on Wed Apr 02 11:39:57 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE