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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 METHYL CROTONATE

SMILES

COC(=O)\C=C\C

InChI

InChIKey=MCVVUJPXSBQTRZ-ONEGZZNKSA-N
InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/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

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Screening for new compounds with antiherpes activity.
1984-10
Patents

Patents

03946054
2
04022804
2
04182717
2
04997838
2
05354754
2
07498337
4
07994205
8
20040158030
2
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:51:36 GMT 2025
Edited
by admin
on Mon Mar 31 18:51:36 GMT 2025
Record UNII
3T02JIH93S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-18745
Preferred Name English
METHYL CROTONATE
Systematic Name English
(E)-CROTONIC ACID METHYL ESTER
Systematic Name English
CROTONIC ACID, METHYL ESTER, (E)-
Common Name English
(2E)-2-BUTENOIC ACID METHYL ESTER
Systematic Name English
METHYL E-PROPENE-1-CARBOXYLATE
Systematic Name English
2-BUTENOIC ACID, METHYL ESTER, (E)-
Common Name English
TRANS-2-BUTENOIC ACID METHYL ESTER
Systematic Name English
METHYL TRANS-CROTONATE
Systematic Name English
METHYL TRANS-2-BUTENOATE
Systematic Name English
METHYL E-CROTONATE
Systematic Name English
CROTONIC ACID METHYL ESTER [MI]
Common Name English
METHYL (E)-2-BUTENOATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
242-517-6
Created by admin on Mon Mar 31 18:51:36 GMT 2025 , Edited by admin on Mon Mar 31 18:51:36 GMT 2025
ALTERNATIVE
NSC
18745
Created by admin on Mon Mar 31 18:51:36 GMT 2025 , Edited by admin on Mon Mar 31 18:51:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID10878813
Created by admin on Mon Mar 31 18:51:36 GMT 2025 , Edited by admin on Mon Mar 31 18:51:36 GMT 2025
PRIMARY
FDA UNII
3T02JIH93S
Created by admin on Mon Mar 31 18:51:36 GMT 2025 , Edited by admin on Mon Mar 31 18:51:36 GMT 2025
PRIMARY
CAS
18707-60-3
Created by admin on Mon Mar 31 18:51:36 GMT 2025 , Edited by admin on Mon Mar 31 18:51:36 GMT 2025
ALTERNATIVE
MERCK INDEX
m3858
Created by admin on Mon Mar 31 18:51:36 GMT 2025 , Edited by admin on Mon Mar 31 18:51:36 GMT 2025
PRIMARY Merck Index
ECHA (EC/EINECS)
210-793-7
Created by admin on Mon Mar 31 18:51:36 GMT 2025 , Edited by admin on Mon Mar 31 18:51:36 GMT 2025
PRIMARY
PUBCHEM
638132
Created by admin on Mon Mar 31 18:51:36 GMT 2025 , Edited by admin on Mon Mar 31 18:51:36 GMT 2025
PRIMARY
CAS
623-43-8
Created by admin on Mon Mar 31 18:51:36 GMT 2025 , Edited by admin on Mon Mar 31 18:51:36 GMT 2025
PRIMARY
NIH
NCATS
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