structure of 5-(4-methoxyphenyl)-3-oxopentanenitrile

5-(4-methoxyphenyl)-3-oxopentanenitrile

CAS No.: 1000895-42-0
M. Wt: 203.23700
M. Fa: C12H13NO2
InChI Key: DBZKOZMRIVQPKH-UHFFFAOYSA-N

Names and Identifiers of 5-(4-methoxyphenyl)-3-oxopentanenitrile

CAS Number

1000895-42-0

MDL Number

MFCD11187382

IUPAC Name

5-(4-methoxyphenyl)-3-oxopentanenitrile

InChI

InChI=1S/C12H13NO2/c1-15-12-6-3-10(4-7-12)2-5-11(14)8-9-13/h3-4,6-7H,2,5,8H2,1H3

InChIKey

DBZKOZMRIVQPKH-UHFFFAOYSA-N

Canonical SMILES

COC1=CC=C(CCC(=O)CC#N)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 5-(4-methoxyphenyl)-3-oxopentanenitrile

Exact Mass

203.09500

H Bond Acceptors

3

H Bond Donors

0

LogP

2.11058

Molecular Formula

C12H13NO2

Molecular Weight

203.23700

PSA

50.09000

Safety Information of 5-(4-methoxyphenyl)-3-oxopentanenitrile

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Retrosynthesis analysis of 5-(4-methoxyphenyl)-3-oxopentanenitrile

  • Route#1

    Cas:15823-04-8
    Cas:1000895-42-0