AG002SD2

262298-02-2 | Benzeneacetonitrile, 4-methoxy-2-methyl-

AG002SD2

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CAS Number	262298-02-2
Catalog Number	AG002SD2(AGN-PC-0L09C3)
Chemical Name	Benzeneacetonitrile, 4-methoxy-2-methyl-
IUPAC Name	2-(4-methoxy-2-methylphenyl)acetonitrile
InChI	InChI=1S/C10H11NO/c1-8-7-10(12-2)4-3-9(8)5-6-11/h3-4,7H,5H2,1-2H3
InChI Key	IXOPCMZOHYZDMX-UHFFFAOYSA-N
MDL Number	MFCD02178388
Molecular Formula	C10H11NO
Molecular Weight	161.2004
SMILES	N#CCC1=CC=C(OC)C=C1C
Synonyms	4-Methoxy-2-methylphenylacetonitrile, 262298-02-2, 2-(4-methoxy-2-methylphenyl)acetonitrile, Benzeneacetonitrile, 4-methoxy-2-methyl-, 2-METHYL-4-METHOXYPHENYLACETONITRILE, AK-34434, 2-(4-methoxy-2-methyl-phenyl)acetonitrile, AC1MWL77, KSC495G3L, SCHEMBL1237862, CTK3J5335, 4-Methoxy-2-methylbenzyl cyanide, DTXSID60396613, IXOPCMZOHYZDMX-UHFFFAOYSA-N, ACT03771, EBD43203, ZINC2391424, 2295AB, ANW-44438, CL8765, FCH845650, MFCD02178388, 4-methoxy-2-methylphenyl acetonitrile, AKOS006280230, AM82823, CM-1312, RP22426, RTR-040051, KS-00000O64, ACM262298022, AJ-35738, AN-29213, CJ-08387, TS-02149, AX8098377, DB-006856, ST2405855, TR-040051, A5213, FT-0081081, FT-0650603, C-5999, 298M022, I01-7185, J-515632, C10H11NO, ACN-055798, CID3801024,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.204g/mol
Monoisotopic Mass	161.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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