Home Carboxys 2-oxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

2-oxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

CAS No.:
1783725-09-6
Catalog Number:
AG01DVU9
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
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Product Description
Catalog Number:
AG01DVU9
Chemical Name:
2-oxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
CAS Number:
1783725-09-6
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD31615910
IUPAC Name:
2-oxo-3,4-dihydro-1H-quinazoline-7-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c12-8(13)5-1-2-6-4-10-9(14)11-7(6)3-5/h1-3H,4H2,(H,12,13)(H2,10,11,14)
InChI Key:
KHQWJBJQHOEFOS-UHFFFAOYSA-N
SMILES:
O=C1NCc2c(N1)cc(cc2)C(=O)O
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties