200,000+ products from a single source!
sales@angenechem.com
873773-67-2 | 1,3-Benzenedicarboxylic acid, 5-(5-amino-4-cyano-1H-pyrazol-1-yl)-
CAS No: 873773-67-2 Catalog No: AG004NU4 MDL No:
Product Description
Catalog Number:
AG004NU4
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(5-amino-4-cyano-1H-pyrazol-1-yl)-
CAS Number:
873773-67-2
Molecular Formula:
C12H8N4O4
Molecular Weight:
272.2163
IUPAC Name:
5-(5-amino-4-cyanopyrazol-1-yl)benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C12H8N4O4/c13-4-8-5-15-16(10(8)14)9-2-6(11(17)18)1-7(3-9)12(19)20/h1-3,5H,14H2,(H,17,18)(H,19,20)
InChI Key:
YRACTVCFGUJANX-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1cc(cc(c1)C(=O)O)C(=O)O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.22g/mol
Monoisotopic Mass:
272.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.