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1268520-96-2 | 8-Quinazolinecarboxylic acid, 4-amino-2-methyl-
CAS No: 1268520-96-2 Catalog No: AG000TCG MDL No:MFCD18633182
Product Description
Catalog Number:
AG000TCG
Chemical Name:
8-Quinazolinecarboxylic acid, 4-amino-2-methyl-
CAS Number:
1268520-96-2
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD18633182
IUPAC Name:
4-amino-2-methylquinazoline-8-carboxylic acid
InChI:
InChI=1S/C10H9N3O2/c1-5-12-8-6(9(11)13-5)3-2-4-7(8)10(14)15/h2-4H,1H3,(H,14,15)(H2,11,12,13)
InChI Key:
BGNGPPPYZBYQQU-UHFFFAOYSA-N
SMILES:
Cc1nc(N)c2c(n1)c(ccc2)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:
1.1
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