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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H8O2
Molecular Weight 100.1158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DIMETHYLACRYLIC ACID, (Z)-

SMILES

C\C=C(\C)C(O)=O

InChI

InChIKey=UIERETOOQGIECD-ARJAWSKDSA-N
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-

HIDE SMILES / InChI

Molecular Formula C5H8O2
Molecular Weight 100.1158
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:15:32 GMT 2023
Edited
by admin
on Fri Dec 15 19:15:32 GMT 2023
Record UNII
54U4ZPB36F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DIMETHYLACRYLIC ACID, (Z)-
Common Name English
CROTONIC ACID, 2-METHYL-, (Z)-
Common Name English
ANGELIC ACID [MI]
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (2Z)-
Common Name English
CIS-2-METHYL-2-BUTENOIC ACID
Common Name English
NSC-96885
Code English
2-BUTENOIC ACID, 2-METHYL-, (Z)-
Common Name English
2-METHYLISOCROTONIC ACID
Systematic Name English
CIS-.ALPHA.,.BETA.-DIMETHYLACRYLIC ACID
Common Name English
ANGELIC ACID
MI  
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Angelic acid
Created by admin on Fri Dec 15 19:15:32 GMT 2023 , Edited by admin on Fri Dec 15 19:15:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID80897430
Created by admin on Fri Dec 15 19:15:32 GMT 2023 , Edited by admin on Fri Dec 15 19:15:32 GMT 2023
PRIMARY
MERCK INDEX
m1909
Created by admin on Fri Dec 15 19:15:32 GMT 2023 , Edited by admin on Fri Dec 15 19:15:32 GMT 2023
PRIMARY Merck Index
PUBCHEM
643915
Created by admin on Fri Dec 15 19:15:32 GMT 2023 , Edited by admin on Fri Dec 15 19:15:32 GMT 2023
PRIMARY
CHEBI
36431
Created by admin on Fri Dec 15 19:15:32 GMT 2023 , Edited by admin on Fri Dec 15 19:15:32 GMT 2023
PRIMARY
NSC
96885
Created by admin on Fri Dec 15 19:15:32 GMT 2023 , Edited by admin on Fri Dec 15 19:15:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-284-2
Created by admin on Fri Dec 15 19:15:32 GMT 2023 , Edited by admin on Fri Dec 15 19:15:32 GMT 2023
PRIMARY
CAS
565-63-9
Created by admin on Fri Dec 15 19:15:32 GMT 2023 , Edited by admin on Fri Dec 15 19:15:32 GMT 2023
PRIMARY
FDA UNII
54U4ZPB36F
Created by admin on Fri Dec 15 19:15:32 GMT 2023 , Edited by admin on Fri Dec 15 19:15:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Esterifying acid of sesquiterpenes found in Butterbur.