AG003S6I

50635-22-8 | M-TOLYLOXYACETONITRILE

AG003S6I

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CAS Number	50635-22-8
Catalog Number	AG003S6I(AGN-PC-00POCD)
Chemical Name	M-TOLYLOXYACETONITRILE
IUPAC Name	2-(3-methylphenoxy)acetonitrile
InChI	InChI=1S/C9H9NO/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7H,6H2,1H3
InChI Key	RHUCKOJKXSCVOW-UHFFFAOYSA-N
MDL Number	MFCD09906425
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	N#CCOC1=CC=CC(C)=C1
Synonyms	m-Tolyloxyacetonitrile, 50635-22-8, 2-(3-methylphenoxy)acetonitrile, Acetonitrile, (3-methylphenoxy)-, 3-methylphenoxyacetonitrile, 2-(m-Tolyloxy)acetonitrile, (3-Methylphenoxy)acetonitrile, SCHEMBL8195129, (3-?Methylphenoxy)?acetonitrile, CTK1G6368, DTXSID10574202, RHUCKOJKXSCVOW-UHFFFAOYSA-N, KS-00000EG6, 7147AJ, MFCD09906425, ZINC11834397, AKOS000173016, MCULE-5880224094, TRA-0176687, (3-Methylphenoxy)acetonitrile AldrichCPR, AS-32235, CJ-13697, SY010989, (3-Methylphenoxy)acetonitrile, AldrichCPR, DB-071233, TC-308604, FT-0745802, Z-4098, MFCD09906425 (97+%), C9H9NO, 2876-78-0,

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	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number