AG003TIC

50635-21-7 | o-Tolyloxyacetonitrile

AG003TIC

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CAS Number	50635-21-7
Catalog Number	AG003TIC(AGN-PC-0LE2C1)
Chemical Name	o-Tolyloxyacetonitrile
IUPAC Name	2-(2-methylphenoxy)acetonitrile
InChI	InChI=1S/C9H9NO/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5H,7H2,1H3
InChI Key	PLUADOZOKWWDIF-UHFFFAOYSA-N
MDL Number	MFCD00184705
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	CC1=C(OCC#N)C=CC=C1
Synonyms	o-Tolyloxyacetonitrile, 50635-21-7, 2-(2-methylphenoxy)acetonitrile, Acetonitrile, (2-methylphenoxy)-, (o-tolyloxy)acetonitrile, 2-(2-methylphenoxy)ethanenitrile, AC1NDTPA, o-Tolyloxy-acetonitrile, o-methylphenoxyacetonitrile, 2-Methylphenoxyacetonitrile, (2-methylphenoxy)acetonitrile, SCHEMBL7781948, CTK1G6369, DTXSID20404809, 2-(2-Methylphenoxy)-acetonitrile, KS-00000EG7, ZINC3122411, ANW-50288, MFCD00184705, SBB016775, AKOS000167847, DS-1171, MCULE-5121354297, TRA0069845, AJ-44505, AK-47402, BR-47402, CJ-10574, SY010990, AB0025174, DB-071232, TR-036906, FT-0724781, ST24031489, ST50405005, W6590, S-1624, MFCD00184705 (97+%), Z53791706, C9H9NO, CID4606836,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319-H412
Packing Group
Precautionary statements	P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number