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Details

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

SHOW SMILES / InChI
Structure of 3-METHYL CROTONIC ACID

SMILES

CC(C)=CC(O)=O

InChI

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

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 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:29:49 UTC 2023
Edited
by admin
on Fri Dec 15 18:29:49 UTC 2023
Record UNII
EKV8I38F9I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL CROTONIC ACID
FHFI  
Systematic Name English
3-METHYL CROTONIC ACID [FHFI]
Common Name English
NSC-2549
Code English
METHYLCROTONIC ACID
Systematic Name English
NSC-97179
Code English
2-BUTENOIC ACID, 3-METHYL-
Common Name English
3,3-DIMETHYACRYLIC ACID
Common Name English
3-METHYLCROTONIC ACID
Systematic Name English
FEMA NO. 3187
Code English
3,3-DIMETHYLACRYLIC ACID
Systematic Name English
SENECIOIC ACID
Systematic Name English
Code System Code Type Description
JECFA MONOGRAPH
1213
Created by admin on Fri Dec 15 18:29:49 UTC 2023 , Edited by admin on Fri Dec 15 18:29:49 UTC 2023
PRIMARY
NSC
97179
Created by admin on Fri Dec 15 18:29:49 UTC 2023 , Edited by admin on Fri Dec 15 18:29:49 UTC 2023
PRIMARY
CHEBI
37127
Created by admin on Fri Dec 15 18:29:49 UTC 2023 , Edited by admin on Fri Dec 15 18:29:49 UTC 2023
PRIMARY
FDA UNII
EKV8I38F9I
Created by admin on Fri Dec 15 18:29:49 UTC 2023 , Edited by admin on Fri Dec 15 18:29:49 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-782-7
Created by admin on Fri Dec 15 18:29:49 UTC 2023 , Edited by admin on Fri Dec 15 18:29:49 UTC 2023
PRIMARY
NSC
2549
Created by admin on Fri Dec 15 18:29:49 UTC 2023 , Edited by admin on Fri Dec 15 18:29:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID2047145
Created by admin on Fri Dec 15 18:29:49 UTC 2023 , Edited by admin on Fri Dec 15 18:29:49 UTC 2023
PRIMARY
CAS
541-47-9
Created by admin on Fri Dec 15 18:29:49 UTC 2023 , Edited by admin on Fri Dec 15 18:29:49 UTC 2023
PRIMARY
PUBCHEM
10931
Created by admin on Fri Dec 15 18:29:49 UTC 2023 , Edited by admin on Fri Dec 15 18:29:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Esterifying acid of sesquiterpenes found in Butterbur.