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88267-66-7

88267-66-7 | 2-Quinazolinecarboxylic acid, 1,4-dihydro-1-methyl-4-oxo-, ethyl ester

CAS No: 88267-66-7 Catalog No: AG0049Z1 MDL No:

Product Description

Catalog Number:
AG0049Z1
Chemical Name:
2-Quinazolinecarboxylic acid, 1,4-dihydro-1-methyl-4-oxo-, ethyl ester
CAS Number:
88267-66-7
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
ethyl 1-methyl-4-oxoquinazoline-2-carboxylate
InChI:
InChI=1S/C12H12N2O3/c1-3-17-12(16)10-13-11(15)8-6-4-5-7-9(8)14(10)2/h4-7H,3H2,1-2H3
InChI Key:
CBDKDWUIWXUANJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(=O)c2c(n1C)cccc2

Properties

Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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