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Details

Stereochemistry RACEMIC
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-EPOXYHEPTANAL

SMILES

CCCC[C@@H]1O[C@H]1C=O

InChI

InChIKey=JSGLRFSEKUNPRD-BQBZGAKWSA-N
InChI=1S/C7H12O2/c1-2-3-4-6-7(5-8)9-6/h5-7H,2-4H2,1H3/t6-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H12O2
Molecular Weight 128.169
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:40:17 UTC 2023
Edited
by admin
on Sat Dec 16 00:40:17 UTC 2023
Record UNII
VFQ6E8O73Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-EPOXYHEPTANAL
Systematic Name English
FEMA NO. 4658
Code English
OXIRANECARBOXALDEHYDE, 3-BUTYL-, TRANS-(±)-
Systematic Name English
2-OXIRANECARBOXALDEHYDE, 3-BUTYL-, (2R,3S)-REL-
Common Name English
3-BUTYL OXIRANE-2-CARBOXALDEHYDE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2,3-EPOXYHEPTANAL
Created by admin on Sat Dec 16 00:40:17 UTC 2023 , Edited by admin on Sat Dec 16 00:40:17 UTC 2023
Code System Code Type Description
CAS
104528-14-5
Created by admin on Sat Dec 16 00:40:17 UTC 2023 , Edited by admin on Sat Dec 16 00:40:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID20146530
Created by admin on Sat Dec 16 00:40:17 UTC 2023 , Edited by admin on Sat Dec 16 00:40:17 UTC 2023
PRIMARY
FDA UNII
VFQ6E8O73Q
Created by admin on Sat Dec 16 00:40:17 UTC 2023 , Edited by admin on Sat Dec 16 00:40:17 UTC 2023
PRIMARY
PUBCHEM
18606879
Created by admin on Sat Dec 16 00:40:17 UTC 2023 , Edited by admin on Sat Dec 16 00:40:17 UTC 2023
PRIMARY
JECFA MONOGRAPH
2124
Created by admin on Sat Dec 16 00:40:17 UTC 2023 , Edited by admin on Sat Dec 16 00:40:17 UTC 2023
PRIMARY