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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-DIMETHYL-4-PENTENOIC ACID

SMILES

CC(C)(CC=C)C(O)=O

InChI

InChIKey=BGUAPYRHJPWVEM-UHFFFAOYSA-N
InChI=1S/C7H12O2/c1-4-5-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C7H12O2
Molecular Weight 128.169
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:07:56 GMT 2023
Edited
by admin
on Fri Dec 15 18:07:56 GMT 2023
Record UNII
8CR4G8F32N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-DIMETHYL-4-PENTENOIC ACID
Common Name English
4-PENTENOIC ACID, 2,2-DIMETHYL-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00167667
Created by admin on Fri Dec 15 18:07:56 GMT 2023 , Edited by admin on Fri Dec 15 18:07:56 GMT 2023
PRIMARY
FDA UNII
8CR4G8F32N
Created by admin on Fri Dec 15 18:07:56 GMT 2023 , Edited by admin on Fri Dec 15 18:07:56 GMT 2023
PRIMARY
PUBCHEM
140065
Created by admin on Fri Dec 15 18:07:56 GMT 2023 , Edited by admin on Fri Dec 15 18:07:56 GMT 2023
PRIMARY
CAS
16386-93-9
Created by admin on Fri Dec 15 18:07:56 GMT 2023 , Edited by admin on Fri Dec 15 18:07:56 GMT 2023
PRIMARY