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116530-10-0 | 1-Naphthalenecarboxylic acid, 7-amino-
CAS No: 116530-10-0 Catalog No: AG000CPC MDL No:
Product Description
Catalog Number:
AG000CPC
Chemical Name:
1-Naphthalenecarboxylic acid, 7-amino-
CAS Number:
116530-10-0
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
7-aminonaphthalene-1-carboxylic acid
InChI:
InChI=1S/C11H9NO2/c12-8-5-4-7-2-1-3-9(11(13)14)10(7)6-8/h1-6H,12H2,(H,13,14)
InChI Key:
BFBAHPDPLUEECU-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(ccc2)C(=O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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