CAS 116668-47-4 | 2-Naphthalenecarboxylic acid, 6-amino- | CAS Number 116668-47-4

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116668-47-4 | 2-Naphthalenecarboxylic acid, 6-amino-

CAS No: 116668-47-4 Catalog No: AG000CYA MDL No:MFCD01861831

Product Description

Catalog Number:

AG000CYA

Chemical Name:

2-Naphthalenecarboxylic acid, 6-amino-

CAS Number:

116668-47-4

Molecular Formula:

C11H9NO2

Molecular Weight:

187.1947

MDL Number:

MFCD01861831

IUPAC Name:

6-aminonaphthalene-2-carboxylic acid

InChI:

InChI=1S/C11H9NO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,12H2,(H,13,14)

InChI Key:

NZTPZUIIYNYZKT-UHFFFAOYSA-N

SMILES:

Nc1ccc2c(c1)ccc(c2)C(=O)O

Properties

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.198g/mol

Monoisotopic Mass:

187.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Fragment-based design of symmetrical bis-benzimidazoles as selective inhibitors of the trimethoprim-resistant, type II R67 dihydrofolate reductase.	Journal of medicinal chemistry 20120412
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601