Home Carboxys 4-Oxo-3,4-dihydroquinazoline-8-carboxylic acid

4-Oxo-3,4-dihydroquinazoline-8-carboxylic acid

CAS No.:
19181-77-2
Catalog Number:
AG0074OC
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
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Product Description
Catalog Number:
AG0074OC
Chemical Name:
4-Oxo-3,4-dihydroquinazoline-8-carboxylic acid
CAS Number:
19181-77-2
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD10566726
IUPAC Name:
4-oxo-3H-quinazoline-8-carboxylic acid
InChI:
InChI=1S/C9H6N2O3/c12-8-5-2-1-3-6(9(13)14)7(5)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12)
InChI Key:
YMZRVSIMAIQEJB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1nc[nH]c2=O
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