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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H10O4
Molecular Weight 158.1519
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,3-DIACETOXYPROPENE, (E)-

SMILES

CC(=O)OC\C=C\OC(C)=O

InChI

InChIKey=BAKOKAVZDCFZIH-ONEGZZNKSA-N
InChI=1S/C7H10O4/c1-6(8)10-4-3-5-11-7(2)9/h3-4H,5H2,1-2H3/b4-3+

HIDE SMILES / InChI

Approval Year

Name Type Language
1,3-DIACETOXYPROPENE, (E)-
Systematic Name English
NSC-16185
Code English
1-PROPENE-1,3-DIOL, 1,3-DIACETATE
Systematic Name English
1-PROPENE-1,3-DIOL, DIACETATE, (E)-
Systematic Name English
1-PROPENE-1,3-DIOL, DIACETATE
Systematic Name English
Code System Code Type Description
NSC
16185
Created by admin on Sat Dec 16 12:40:44 GMT 2023 , Edited by admin on Sat Dec 16 12:40:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID901031255
Created by admin on Sat Dec 16 12:40:44 GMT 2023 , Edited by admin on Sat Dec 16 12:40:44 GMT 2023
PRIMARY
FDA UNII
W65PGV067K
Created by admin on Sat Dec 16 12:40:44 GMT 2023 , Edited by admin on Sat Dec 16 12:40:44 GMT 2023
PRIMARY
CAS
31447-25-3
Created by admin on Sat Dec 16 12:40:44 GMT 2023 , Edited by admin on Sat Dec 16 12:40:44 GMT 2023
PRIMARY
CAS
1945-91-1
Created by admin on Sat Dec 16 12:40:44 GMT 2023 , Edited by admin on Sat Dec 16 12:40:44 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
6371397
Created by admin on Sat Dec 16 12:40:44 GMT 2023 , Edited by admin on Sat Dec 16 12:40:44 GMT 2023
PRIMARY