Home Carboxys 3,4-Dihydro-4-oxo-5-quinazolinecarboxylic acid

3,4-Dihydro-4-oxo-5-quinazolinecarboxylic acid

CAS No.:
208774-29-2
Catalog Number:
AG002JVN
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
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Product Description
Catalog Number:
AG002JVN
Chemical Name:
3,4-Dihydro-4-oxo-5-quinazolinecarboxylic acid
CAS Number:
208774-29-2
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD10566727
IUPAC Name:
4-oxo-3H-quinazoline-5-carboxylic acid
InChI:
InChI=1S/C9H6N2O3/c12-8-7-5(9(13)14)2-1-3-6(7)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12)
InChI Key:
PYDJYFCOBRLDMO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1c(=O)[nH]cn2
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties