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129768-69-0 | 2-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-2-methyl-4-oxo-
CAS No: 129768-69-0 Catalog No: AG000TOJ MDL No:
Product Description
Catalog Number:
AG000TOJ
Chemical Name:
2-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-2-methyl-4-oxo-
CAS Number:
129768-69-0
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
2-methyl-4-oxo-1,3-dihydroquinazoline-2-carboxylic acid
InChI:
InChI=1S/C10H10N2O3/c1-10(9(14)15)11-7-5-3-2-4-6(7)8(13)12-10/h2-5,11H,1H3,(H,12,13)(H,14,15)
InChI Key:
QJAFYGIWXJBIRS-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)NC(=O)c2c(N1)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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