Home Carboxys 7-Quinazolinecarboxylic acid

7-Quinazolinecarboxylic acid

CAS No.:
1234616-41-1
Catalog Number:
AG000KNJ
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
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Product Description
Catalog Number:
AG000KNJ
Chemical Name:
7-Quinazolinecarboxylic acid
CAS Number:
1234616-41-1
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
MDL Number:
MFCD17015871
IUPAC Name:
quinazoline-7-carboxylic acid
InChI:
InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-4-10-5-11-8(7)3-6/h1-5H,(H,12,13)
InChI Key:
SRKXVESHUPPYMO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ncnc2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties