200,000+ products from a single source!
sales@angenechem.com
125815-69-2 | 1H-Imidazole-5-carboxylic acid, 2-amino-4-cyano-
CAS No: 125815-69-2 Catalog No: AG000OS8 MDL No:
Product Description
Catalog Number:
AG000OS8
Chemical Name:
1H-Imidazole-5-carboxylic acid, 2-amino-4-cyano-
CAS Number:
125815-69-2
Molecular Formula:
C5H4N4O2
Molecular Weight:
152.1109
IUPAC Name:
2-amino-4-cyano-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C5H4N4O2/c6-1-2-3(4(10)11)9-5(7)8-2/h(H,10,11)(H3,7,8,9)
InChI Key:
PHNMJPZFIHUSBQ-UHFFFAOYSA-N
SMILES:
N#Cc1nc([nH]c1C(=O)O)N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
152.113g/mol
Monoisotopic Mass:
152.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.