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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10O4
Molecular Weight 218.2054
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ISOCHAVICINIC ACID

SMILES

OC(=O)\C=C\C=C/C1=CC=C2OCOC2=C1

InChI

InChIKey=RHBGITBPARBDPH-HSFFGMMNSA-N
InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1-,4-2+

HIDE SMILES / InChI

Molecular Formula C12H10O4
Molecular Weight 218.2054
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:50:06 UTC 2023
Edited
by admin
on Sat Dec 16 04:50:06 UTC 2023
Record UNII
3F076NX5P9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCHAVICINIC ACID
Common Name English
2,4-PENTADIENOIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-, (2E,4Z)-
Common Name English
2,4-PENTADIENOIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-, (E,Z)-
Common Name English
PIPERIC ACID (E,Z)-FORM [MI]
Common Name English
5-(1,3-BENZODIOXOL-5-YL)-2,4-PENTADIENOIC ACID, (2E,4Z)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID501210675
Created by admin on Sat Dec 16 04:50:06 UTC 2023 , Edited by admin on Sat Dec 16 04:50:06 UTC 2023
PRIMARY
FDA UNII
3F076NX5P9
Created by admin on Sat Dec 16 04:50:06 UTC 2023 , Edited by admin on Sat Dec 16 04:50:06 UTC 2023
PRIMARY
MERCK INDEX
m8849
Created by admin on Sat Dec 16 04:50:06 UTC 2023 , Edited by admin on Sat Dec 16 04:50:06 UTC 2023
PRIMARY Merck Index
CAS
495-87-4
Created by admin on Sat Dec 16 04:50:06 UTC 2023 , Edited by admin on Sat Dec 16 04:50:06 UTC 2023
PRIMARY
PUBCHEM
13001421
Created by admin on Sat Dec 16 04:50:06 UTC 2023 , Edited by admin on Sat Dec 16 04:50:06 UTC 2023
PRIMARY