CAS 76509-17-6 | Pyridine, 3-(phenylmethoxy)- | CAS Number 76509-17-6

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76509-17-6 | Pyridine, 3-(phenylmethoxy)-

CAS No: 76509-17-6 Catalog No: AG005XS9 MDL No:MFCD13151998

Product Description

Catalog Number:

AG005XS9

Chemical Name:

Pyridine, 3-(phenylmethoxy)-

CAS Number:

76509-17-6

Molecular Formula:

C12H11NO

Molecular Weight:

185.2218

MDL Number:

MFCD13151998

IUPAC Name:

3-phenylmethoxypyridine

InChI:

InChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2

InChI Key:

LLWFWIZOFFLRKC-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)COc1cccnc1

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.226g/mol

Monoisotopic Mass:

185.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Pharmacophore modeling of diverse classes of p38 MAP kinase inhibitors.	European journal of medicinal chemistry 20081201
Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.	Journal of medicinal chemistry 20050127