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1000578-10-8 | 8-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-, methyl ester
CAS No: 1000578-10-8 Catalog No: AG0000RH MDL No:
Product Description
Catalog Number:
AG0000RH
Chemical Name:
8-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-, methyl ester
CAS Number:
1000578-10-8
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
methyl 4-oxo-3H-quinazoline-8-carboxylate
InChI:
InChI=1S/C10H8N2O3/c1-15-10(14)7-4-2-3-6-8(7)11-5-12-9(6)13/h2-5H,1H3,(H,11,12,13)
InChI Key:
FOIQBHSPCYEVGH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nc[nH]c2=O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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