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77779-58-9 | Benzoic acid, 4-(3,5-dihydro-3-oxo-2H-pyrazolo[4,3-c]quinolin-2-yl)-
CAS No: 77779-58-9 Catalog No: AG008OHD MDL No:
Product Description
Catalog Number:
AG008OHD
Chemical Name:
Benzoic acid, 4-(3,5-dihydro-3-oxo-2H-pyrazolo[4,3-c]quinolin-2-yl)-
CAS Number:
77779-58-9
Molecular Formula:
C17H11N3O3
Molecular Weight:
305.2875
IUPAC Name:
4-(3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
InChI:
InChI=1S/C17H11N3O3/c21-16-13-9-18-14-4-2-1-3-12(14)15(13)19-20(16)11-7-5-10(6-8-11)17(22)23/h1-9,19H,(H,22,23)
InChI Key:
MXPSXPZZPNPYOO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1nc2c(c1=O)c[nH]c1c2cccc1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.293g/mol
Monoisotopic Mass:
305.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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