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

Details

Stereochemistry MIXED
Molecular Formula C11H12O4
Molecular Weight 208.2106
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIPERONAL PROPYLENEGLYCOL ACETAL

SMILES

CC1COC(O1)C2=CC3=C(OCO3)C=C2

InChI

InChIKey=HXNSADTWQWLFCB-UHFFFAOYSA-N
InChI=1S/C11H12O4/c1-7-5-12-11(15-7)8-2-3-9-10(4-8)14-6-13-9/h2-4,7,11H,5-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H12O4
Molecular Weight 208.2106
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:22:34 GMT 2023
Edited
by admin
on Sat Dec 16 00:22:34 GMT 2023
Record UNII
174R7G1LAM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIPERONAL PROPYLENEGLYCOL ACETAL
Common Name English
PIPERONAL PROPYLENEGLYCOL ACETAL, (±)-
Common Name English
(±)-PIPERONAL PROPYLENEGLYCOL ACETAL
Common Name English
1,3-DIOXOLANE, 4-METHYL-2-(3,4-METHYLENEDIOXYPHENYL)-
Systematic Name English
HELIOTROPYL PROPYLENE GLYCOL ACETAL
Common Name English
FEMA NO. 4622
Code English
NSC-406081
Code English
1,3-BENZODIOXOLE, 5-(4-METHYL-1,3-DIOXOLAN-2-YL)-
Systematic Name English
PIPERONAL PROPYLENE GLYCOL ACETAL
Common Name English
Code System Code Type Description
PUBCHEM
101144
Created by admin on Sat Dec 16 00:22:34 GMT 2023 , Edited by admin on Sat Dec 16 00:22:34 GMT 2023
PRIMARY
FDA UNII
174R7G1LAM
Created by admin on Sat Dec 16 00:22:34 GMT 2023 , Edited by admin on Sat Dec 16 00:22:34 GMT 2023
PRIMARY
CAS
61683-99-6
Created by admin on Sat Dec 16 00:22:34 GMT 2023 , Edited by admin on Sat Dec 16 00:22:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID80866868
Created by admin on Sat Dec 16 00:22:34 GMT 2023 , Edited by admin on Sat Dec 16 00:22:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
262-897-7
Created by admin on Sat Dec 16 00:22:34 GMT 2023 , Edited by admin on Sat Dec 16 00:22:34 GMT 2023
PRIMARY
NSC
406081
Created by admin on Sat Dec 16 00:22:34 GMT 2023 , Edited by admin on Sat Dec 16 00:22:34 GMT 2023
PRIMARY