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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14O2
Molecular Weight 190.2384
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CINNAMALDEHYDE PROPYLENEGLYCOL ACETAL, (2S,4S)-

SMILES

C[C@H]1CO[C@@H](O1)\C=C\C2=CC=CC=C2

InChI

InChIKey=MQLAQZSLFAOEAK-HUAGXHDJSA-N
InChI=1S/C12H14O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t10-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H14O2
Molecular Weight 190.2384
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:08:15 GMT 2023
Edited
by admin
on Sat Dec 16 00:08:15 GMT 2023
Record UNII
4I57N448PQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINNAMALDEHYDE PROPYLENEGLYCOL ACETAL, (2S,4S)-
Common Name English
1,3-DIOXOLANE, 4-METHYL-2-(2-PHENYLETHENYL)-, (2S,4S)-
Systematic Name English
(2S,4S)-4-METHYL-2-((E)-STYRYL)-1,3-DIOXOLANE
Systematic Name English
FEMA NO. 4596, (2S,4S)-
Code English
Code System Code Type Description
FDA UNII
4I57N448PQ
Created by admin on Sat Dec 16 00:08:15 GMT 2023 , Edited by admin on Sat Dec 16 00:08:15 GMT 2023
PRIMARY
PUBCHEM
71587857
Created by admin on Sat Dec 16 00:08:15 GMT 2023 , Edited by admin on Sat Dec 16 00:08:15 GMT 2023
PRIMARY
CAS
908014-15-3
Created by admin on Sat Dec 16 00:08:15 GMT 2023 , Edited by admin on Sat Dec 16 00:08:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID80238268
Created by admin on Sat Dec 16 00:08:15 GMT 2023 , Edited by admin on Sat Dec 16 00:08:15 GMT 2023
PRIMARY