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Details

Stereochemistry RACEMIC
Molecular Formula C7H14O2
Molecular Weight 130.1849
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLHEXANOIC ACID

SMILES

CCCC(C)CC(O)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C7H14O2
Molecular Weight 130.1849
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 22:43:00 GMT 2025
Edited
by admin
on Mon Mar 31 22:43:00 GMT 2025
Record UNII
E4GWJ09TGV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLHEXANOIC ACID
Systematic Name English
3-METHYLCAPROIC ACID
Preferred Name English
NSC-1248
Code English
NSC-74522
Code English
3-METHYLHEXYLIC ACID
Systematic Name English
HEXANOIC ACID, 3-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00863273
Created by admin on Mon Mar 31 22:43:00 GMT 2025 , Edited by admin on Mon Mar 31 22:43:00 GMT 2025
PRIMARY
NSC
1248
Created by admin on Mon Mar 31 22:43:00 GMT 2025 , Edited by admin on Mon Mar 31 22:43:00 GMT 2025
PRIMARY
CAS
3780-58-3
Created by admin on Mon Mar 31 22:43:00 GMT 2025 , Edited by admin on Mon Mar 31 22:43:00 GMT 2025
PRIMARY
NSC
74522
Created by admin on Mon Mar 31 22:43:00 GMT 2025 , Edited by admin on Mon Mar 31 22:43:00 GMT 2025
PRIMARY
FDA UNII
E4GWJ09TGV
Created by admin on Mon Mar 31 22:43:00 GMT 2025 , Edited by admin on Mon Mar 31 22:43:00 GMT 2025
PRIMARY
PUBCHEM
95315
Created by admin on Mon Mar 31 22:43:00 GMT 2025 , Edited by admin on Mon Mar 31 22:43:00 GMT 2025
PRIMARY
CAS
22263-24-7
Created by admin on Mon Mar 31 22:43:00 GMT 2025 , Edited by admin on Mon Mar 31 22:43:00 GMT 2025
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