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204504-82-5 | 2-Naphthalenecarboxylic acid, 5-amino-6-methyl-
CAS No: 204504-82-5 Catalog No: AG0029J2 MDL No:
Product Description
Catalog Number:
AG0029J2
Chemical Name:
2-Naphthalenecarboxylic acid, 5-amino-6-methyl-
CAS Number:
204504-82-5
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
5-amino-6-methylnaphthalene-2-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c1-7-2-3-8-6-9(12(14)15)4-5-10(8)11(7)13/h2-6H,13H2,1H3,(H,14,15)
InChI Key:
UXIZMLVXBMXWTN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ccc(c2N)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/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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