structure of 3-Amino-5-cyanobenzoic acid

3-Amino-5-cyanobenzoic acid

CAS No.: 1000341-18-3
M. Wt: 162.14500
M. Fa: C8H6N2O2
InChI Key: CCWVOHSNQZFXQU-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 3-Amino-5-cyanobenzoic acid

CAS Number

1000341-18-3

MDL Number

MFCD09263225

IUPAC Name

3-amino-5-cyanobenzoic acid

InChI

InChI=1S/C8H6N2O2/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3H,10H2,(H,11,12)

InChIKey

CCWVOHSNQZFXQU-UHFFFAOYSA-N

Canonical SMILES

C1=C(C=C(C=C1C(=O)O)N)C#N

UNSPSC Code

12352100

Physical and chemical properties of 3-Amino-5-cyanobenzoic acid

Exact Mass

162.04300

H Bond Acceptors

4

H Bond Donors

2

LogP

1.41988

Molecular Formula

C8H6N2O2

Molecular Weight

162.14500

PSA

87.11000

Safety Information of 3-Amino-5-cyanobenzoic acid

Pictograms

Signal Word

 Warning

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

Physical sample testing spectrum (NMR) of 3-Amino-5-cyanobenzoic acid

Physical sample testing spectrum (NMR) of 3-Amino-5-cyanobenzoic acid

Retrosynthesis analysis of 3-Amino-5-cyanobenzoic acid

  • Route#1

    Cas:199536-01-1
    Cas:1000341-18-3

  • Route#2

    Cas:98556-65-1
    Cas:1000341-18-3