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155960-91-1 | 6-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester
CAS No: 155960-91-1 Catalog No: AG001ODI MDL No:MFCD09839779
Product Description
Catalog Number:
AG001ODI
Chemical Name:
6-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester
CAS Number:
155960-91-1
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD09839779
IUPAC Name:
ethyl 4-oxo-3H-quinazoline-6-carboxylate
InChI:
InChI=1S/C11H10N2O3/c1-2-16-11(15)7-3-4-9-8(5-7)10(14)13-6-12-9/h3-6H,2H2,1H3,(H,12,13,14)
InChI Key:
PLBXHLDCTMXWKA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)c(=O)[nH]cn2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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