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13317-11-8 | 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-methyl-4-oxo-
CAS No: 13317-11-8 Catalog No: AG0014CW MDL No:
Product Description
Catalog Number:
AG0014CW
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-methyl-4-oxo-
CAS Number:
13317-11-8
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChI Key:
WHJTTWIMQIGVJK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)[nH]cc(c2=O)C(=O)O
NSC Number:
117329
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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