AG003ETZ

50635-23-9 | 2-(3-Methoxyphenoxy)acetonitrile

AG003ETZ

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CAS Number	50635-23-9
Catalog Number	AG003ETZ(AGN-PC-0NEWI4)
Chemical Name	2-(3-Methoxyphenoxy)acetonitrile
IUPAC Name	2-(3-methoxyphenoxy)acetonitrile
InChI	InChI=1S/C9H9NO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,6H2,1H3
InChI Key	CWHPWCXSEGCGHL-UHFFFAOYSA-N
MDL Number	MFCD01861402
Molecular Formula	C9H9NO2
Molecular Weight	163.1733
SMILES	COC1=CC(OCC#N)=CC=C1
Synonyms	2-(3-methoxyphenoxy)acetonitrile, 50635-23-9, Acetonitrile, (3-methoxyphenoxy)-, m-methoxyphenoxyacetonitrile, SCHEMBL8195567, CTK1G6367, DTXSID40452928, KS-00000EG2, ZINC2386149, 5210AJ, MFCD01861402, AKOS000193783, MCULE-3524167269, TRA0032132, (3-Methoxyphenoxy)acetonitrile AldrichCPR, AS-32117, CJ-08285, SY010987, (3-Methoxyphenoxy)acetonitrile, AldrichCPR, DB-071234, TC-306799, FT-0759681, K-9361, MFCD01861402 (97+%), C9H9NO2, CID11041031, 775351-30-9,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.176g/mol
Monoisotopic Mass	163.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number