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234782-66-2 | 3-Cinnolinecarboxylic acid, 4-amino-8-methyl-
CAS No: 234782-66-2 Catalog No: AG002ND2 MDL No:
Product Description
Catalog Number:
AG002ND2
Chemical Name:
3-Cinnolinecarboxylic acid, 4-amino-8-methyl-
CAS Number:
234782-66-2
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
4-amino-8-methylcinnoline-3-carboxylic acid
InChI:
InChI=1S/C10H9N3O2/c1-5-3-2-4-6-7(11)9(10(14)15)13-12-8(5)6/h2-4H,1H3,(H2,11,12)(H,14,15)
InChI Key:
IMZSMEMWMCECOM-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1nnc(c2N)C(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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