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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLHEPTANOIC ACID

SMILES

CCCC(C)CCC(O)=O

InChI

InChIKey=LXHFVSWWDNNDPW-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-3-4-7(2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
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 Mon Mar 31 22:43:48 GMT 2025
Edited
by admin
on Mon Mar 31 22:43:48 GMT 2025
Record UNII
C08QLN57SM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYLHEPTANOIC ACID
Systematic Name English
(±)-4-METHYLHEPTANOIC ACID
Preferred Name English
HEPTANOIC ACID, 4-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20954632
Created by admin on Mon Mar 31 22:43:48 GMT 2025 , Edited by admin on Mon Mar 31 22:43:48 GMT 2025
PRIMARY
CAS
3302-03-2
Created by admin on Mon Mar 31 22:43:48 GMT 2025 , Edited by admin on Mon Mar 31 22:43:48 GMT 2025
PRIMARY
PUBCHEM
13800369
Created by admin on Mon Mar 31 22:43:48 GMT 2025 , Edited by admin on Mon Mar 31 22:43:48 GMT 2025
PRIMARY
FDA UNII
C08QLN57SM
Created by admin on Mon Mar 31 22:43:48 GMT 2025 , Edited by admin on Mon Mar 31 22:43:48 GMT 2025
PRIMARY