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88584-92-3 | Benzoic acid, 4-(4H-cyclopenta[c]cinnolin-4-yl)-, methyl ester
CAS No: 88584-92-3 Catalog No: AG004B3Y MDL No:
Product Description
Catalog Number:
AG004B3Y
Chemical Name:
Benzoic acid, 4-(4H-cyclopenta[c]cinnolin-4-yl)-, methyl ester
CAS Number:
88584-92-3
Molecular Formula:
C19H14N2O2
Molecular Weight:
302.3267
IUPAC Name:
methyl 4-cyclopenta[c]cinnolin-4-ylbenzoate
InChI:
InChI=1S/C19H14N2O2/c1-23-19(22)13-9-11-14(12-10-13)21-18-8-4-6-16(18)15-5-2-3-7-17(15)20-21/h2-12H,1H3
InChI Key:
BRTKRHCLPAYHGL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)n1nc2ccccc2c2c1ccc2
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.333g/mol
Monoisotopic Mass:
302.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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