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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H6O
Molecular Weight 70.0898
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CROTONALDEHYDE, (2E)-

SMILES

C\C=C\C=O

InChI

InChIKey=MLUCVPSAIODCQM-NSCUHMNNSA-N
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+

HIDE SMILES / InChI

Molecular Formula C4H6O
Molecular Weight 70.0898
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:42:26 UTC 2023
Edited
by admin
on Fri Dec 15 19:42:26 UTC 2023
Record UNII
6PUW625907
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CROTONALDEHYDE, (2E)-
Systematic Name English
(E)-.BETA.-METHYLACROLEIN
Common Name English
(E)-CROTONALDEHYDE
HSDB  
Systematic Name English
(E)-CROTONALDEHYDE [HSDB]
Common Name English
TRANS-2-BUTENAL
Systematic Name English
(E)-CROTONIC ALDEHYDE
Common Name English
NCI-C56279
Code English
CROTONALDEHYDE, (E)-
Systematic Name English
CROTONALDEHYDE E-FORM [MI]
Common Name English
2-BUTENAL, (E)-
Systematic Name English
TRANS-CROTONALDEHYDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID6020351
Created by admin on Fri Dec 15 19:42:26 UTC 2023 , Edited by admin on Fri Dec 15 19:42:26 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-647-1
Created by admin on Fri Dec 15 19:42:26 UTC 2023 , Edited by admin on Fri Dec 15 19:42:26 UTC 2023
PRIMARY
CAS
123-73-9
Created by admin on Fri Dec 15 19:42:26 UTC 2023 , Edited by admin on Fri Dec 15 19:42:26 UTC 2023
PRIMARY
HSDB
2871
Created by admin on Fri Dec 15 19:42:26 UTC 2023 , Edited by admin on Fri Dec 15 19:42:26 UTC 2023
PRIMARY
CHEBI
41607
Created by admin on Fri Dec 15 19:42:26 UTC 2023 , Edited by admin on Fri Dec 15 19:42:26 UTC 2023
PRIMARY
MERCK INDEX
m3857
Created by admin on Fri Dec 15 19:42:26 UTC 2023 , Edited by admin on Fri Dec 15 19:42:26 UTC 2023
PRIMARY
PUBCHEM
447466
Created by admin on Fri Dec 15 19:42:26 UTC 2023 , Edited by admin on Fri Dec 15 19:42:26 UTC 2023
PRIMARY
FDA UNII
6PUW625907
Created by admin on Fri Dec 15 19:42:26 UTC 2023 , Edited by admin on Fri Dec 15 19:42:26 UTC 2023
PRIMARY