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758726-20-4 | 1,7-Naphthyridine-6-carboxylicacid, 8-amino-
CAS No: 758726-20-4 Catalog No: AG005HYN MDL No:MFCD09863861
Product Description
Catalog Number:
AG005HYN
Chemical Name:
1,7-Naphthyridine-6-carboxylicacid, 8-amino-
CAS Number:
758726-20-4
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD09863861
IUPAC Name:
8-amino-1,7-naphthyridine-6-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c10-8-7-5(2-1-3-11-7)4-6(12-8)9(13)14/h1-4H,(H2,10,12)(H,13,14)
InChI Key:
WODLSHYFXCFJIP-UHFFFAOYSA-N
SMILES:
Nc1nc(cc2c1nccc2)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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