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191338-99-5 | 1,6-Naphthyridine-4-carboxylic acid, 2-phenyl-
CAS No: 191338-99-5 Catalog No: AG002F66 MDL No:
Product Description
Catalog Number:
AG002F66
Chemical Name:
1,6-Naphthyridine-4-carboxylic acid, 2-phenyl-
CAS Number:
191338-99-5
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
IUPAC Name:
2-phenyl-1,6-naphthyridine-4-carboxylic acid
InChI:
InChI=1S/C15H10N2O2/c18-15(19)11-8-14(10-4-2-1-3-5-10)17-13-6-7-16-9-12(11)13/h1-9H,(H,18,19)
InChI Key:
JUDSWVJOGLFYOX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1cncc2)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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