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765850-70-2 | 5-AMINO-1-(PYRIDIN-2-YL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
CAS No: 765850-70-2 Catalog No: AG005KC7 MDL No:
Product Description
Catalog Number:
AG005KC7
Chemical Name:
5-AMINO-1-(PYRIDIN-2-YL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
CAS Number:
765850-70-2
Molecular Formula:
C9H8N4O2
Molecular Weight:
204.1854
IUPAC Name:
5-amino-1-pyridin-2-ylimidazole-4-carboxylic acid
InChI:
InChI=1S/C9H8N4O2/c10-8-7(9(14)15)12-5-13(8)6-3-1-2-4-11-6/h1-5H,10H2,(H,14,15)
InChI Key:
YXFHZLILLRUCBR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncn(c1N)c1ccccn1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.189g/mol
Monoisotopic Mass:
204.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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