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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O
Molecular Weight 112.1696
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

CCCC\C=C\C=O

InChI

InChIKey=NDFKTBCGKNOHPJ-AATRIKPKSA-N
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Structural and kinetic determinants of aldehyde reduction by aldose reductase.
1999 Jan 5
Name Type Language
2-HEPTENAL, (2E)-
Systematic Name English
.BETA.-BUTYLACROLEIN
Systematic Name English
2-HEPTENAL [FHFI]
Common Name English
2-HEPTENAL, (E)-
Systematic Name English
TRANS-2-HEPTENAL
Systematic Name English
(E)-HEPT-2-ENAL
Systematic Name English
3-BUTYLACROLEIN
Systematic Name English
2-HEPTENAL, TRANS-
Systematic Name English
FEMA NO. 3165
Code English
Classification Tree Code System Code
JECFA EVALUATION TRANS-2-HEPTENAL
Created by admin on Fri Dec 15 16:52:54 GMT 2023 , Edited by admin on Fri Dec 15 16:52:54 GMT 2023
Code System Code Type Description
CHEBI
143912
Created by admin on Fri Dec 15 16:52:54 GMT 2023 , Edited by admin on Fri Dec 15 16:52:54 GMT 2023
PRIMARY
PUBCHEM
5283316
Created by admin on Fri Dec 15 16:52:54 GMT 2023 , Edited by admin on Fri Dec 15 16:52:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID30880832
Created by admin on Fri Dec 15 16:52:54 GMT 2023 , Edited by admin on Fri Dec 15 16:52:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
242-608-0
Created by admin on Fri Dec 15 16:52:54 GMT 2023 , Edited by admin on Fri Dec 15 16:52:54 GMT 2023
PRIMARY
CHEBI
61724
Created by admin on Fri Dec 15 16:52:54 GMT 2023 , Edited by admin on Fri Dec 15 16:52:54 GMT 2023
PRIMARY
JECFA MONOGRAPH
1359
Created by admin on Fri Dec 15 16:52:54 GMT 2023 , Edited by admin on Fri Dec 15 16:52:54 GMT 2023
PRIMARY
FDA UNII
4NJZ8GMQ6F
Created by admin on Fri Dec 15 16:52:54 GMT 2023 , Edited by admin on Fri Dec 15 16:52:54 GMT 2023
PRIMARY
CAS
18829-55-5
Created by admin on Fri Dec 15 16:52:54 GMT 2023 , Edited by admin on Fri Dec 15 16:52:54 GMT 2023
PRIMARY