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1234616-41-1 | 7-Quinazolinecarboxylic acid
CAS No: 1234616-41-1 Catalog No: AG000KNJ MDL No:MFCD17015871
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
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