CAS 52222-87-4 | 6-Benzoyl-2-naphthol | CAS Number 52222-87-4

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52222-87-4 | 6-Benzoyl-2-naphthol

CAS No: 52222-87-4 Catalog No: AG003N36 MDL No:

Product Description

Catalog Number:

AG003N36

Chemical Name:

6-Benzoyl-2-naphthol

CAS Number:

52222-87-4

Molecular Formula:

C17H12O2

Molecular Weight:

248.2760

IUPAC Name:

(6-hydroxynaphthalen-2-yl)-phenylmethanone

InChI:

InChI=1S/C17H12O2/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h1-11,18H

InChI Key:

MJKZGSBXCWNUHV-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)ccc(c2)C(=O)c1ccccc1

EC Number:

257-755-6

UNII:

UVY9GCI1OV

NSC Number:

157897

Properties

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.281g/mol

Monoisotopic Mass:

248.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Chemical genetic interrogation of natural variation uncovers a molecule that is glycoactivated.	Nature chemical biology 20071101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501