AG005XS9

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

AG005XS9

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CAS Number	76509-17-6
Catalog Number	AG005XS9(AGN-PC-0MX99F)
Chemical Name	Pyridine, 3-(phenylmethoxy)-
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
MDL Number	MFCD13151998
Molecular Formula	C12H11NO
Molecular Weight	185.2218
SMILES	C(C1=CC=CC=C1)OC=1C=NC=CC1
Synonyms	3-Benzyloxypyridine, 76509-17-6, 3-(benzyloxy)pyridine, Pyridine, 3-(phenylmethoxy)-, 3-Benzyloxy-pyridine, 3-phenylmethoxypyridine, 3-(phenylmethoxy)Pyridine, 5-benzyloxypyridine, 3-phenylmethoxy-pyridine, CHEMBL195467, SCHEMBL1323646, BDBM13338, CTK2G7692, DTXSID80434107, LLWFWIZOFFLRKC-UHFFFAOYSA-N, ZINC12365458, AKOS006334151, RP03389, DB-075138, Pyridine derived fragment based inhibitor 3, TC-068091, FT-0685799, Y4027, 3-BENZYLOXYPYRIDINE[76509-17-6], J-510816, C12H11NO, CID10012635, 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.084g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.226g/mol
Monoisotopic Mass	185.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precautionary statements

Certificate of Analysis

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