200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 156045-12-4

156045-12-4

156045-12-4 | 1H-Pyrazole-1-acetic acid, 3-amino-4-cyano-

CAS No: 156045-12-4 Catalog No: AG001OH1 MDL No:

Product Description

Catalog Number:
AG001OH1
Chemical Name:
1H-Pyrazole-1-acetic acid, 3-amino-4-cyano-
CAS Number:
156045-12-4
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
IUPAC Name:
2-(3-amino-4-cyanopyrazol-1-yl)acetic acid
InChI:
InChI=1S/C6H6N4O2/c7-1-4-2-10(3-5(11)12)9-6(4)8/h2H,3H2,(H2,8,9)(H,11,12)
InChI Key:
ANTGEQXFHIBCHB-UHFFFAOYSA-N
SMILES:
N#Cc1cn(nc1N)CC(=O)O

Properties

Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Related Products

© 2019 Angene International Limited. All rights Reserved.