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100559-93-1 | 1(4H)-Quinazolineacetic acid, 4-oxo-2-phenyl-, methyl ester
CAS No: 100559-93-1 Catalog No: AG0002CR MDL No:
Product Description
Catalog Number:
AG0002CR
Chemical Name:
1(4H)-Quinazolineacetic acid, 4-oxo-2-phenyl-, methyl ester
CAS Number:
100559-93-1
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
methyl 2-(4-oxo-2-phenylquinazolin-1-yl)acetate
InChI:
InChI=1S/C17H14N2O3/c1-22-15(20)11-19-14-10-6-5-9-13(14)17(21)18-16(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChI Key:
GJRVAMQATXFIEC-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1c(nc(=O)c2c1cccc2)c1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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