PROPIOVANILLONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12O3
Molecular Weight	180.2005
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PROPIOVANILLONE

Structure Search

SMILES

CCC(=O)C1=CC=C(O)C(OC)=C1

InChI

InChIKey=FBGXENQFSMMBNY-UHFFFAOYSA-N

InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,12H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H12O3
Molecular Weight	180.2005
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:44:38 GMT 2023` Edited by `admin` on `Fri Dec 15 19:44:38 GMT 2023`
Record UNII	B6B3PL2HRF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PROPIOVANILLONE

Common Name

English

NSC-16691

Code

English

1-(4-Hydroxy-3-methoxyphenyl)-1-propanone

Systematic Name

English

1-(3-Methoxy-4-hydroxyphenyl)-1-propanone

Systematic Name

English

Code System Code Type Description

PUBCHEM

15782

Created by admin on Fri Dec 15 19:44:38 GMT 2023 , Edited by admin on Fri Dec 15 19:44:38 GMT 2023

PRIMARY

EPA CompTox

DTXSID2075057

Created by admin on Fri Dec 15 19:44:38 GMT 2023 , Edited by admin on Fri Dec 15 19:44:38 GMT 2023

PRIMARY

FDA UNII

B6B3PL2HRF

Created by admin on Fri Dec 15 19:44:38 GMT 2023 , Edited by admin on Fri Dec 15 19:44:38 GMT 2023

PRIMARY

NSC

16691

Created by admin on Fri Dec 15 19:44:38 GMT 2023 , Edited by admin on Fri Dec 15 19:44:38 GMT 2023

PRIMARY

CAS

1835-14-9

Created by admin on Fri Dec 15 19:44:38 GMT 2023 , Edited by admin on Fri Dec 15 19:44:38 GMT 2023

PRIMARY