AG005M1M

75391-57-0 | 4-Methoxy-3-methylphenylacetonitrile

AG005M1M

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CAS Number	75391-57-0
Catalog Number	AG005M1M(AGN-PC-0JMU3B)
Chemical Name	4-Methoxy-3-methylphenylacetonitrile
IUPAC Name	2-(4-methoxy-3-methylphenyl)acetonitrile
InChI	InChI=1S/C10H11NO/c1-8-7-9(5-6-11)3-4-10(8)12-2/h3-4,7H,5H2,1-2H3
InChI Key	QOMACJMHUFTRJI-UHFFFAOYSA-N
MDL Number	MFCD00040891
Molecular Formula	C10H11NO
Molecular Weight	161.2004
SMILES	N#CCC1=CC=C(OC)C(C)=C1
Synonyms	4-Methoxy-3-methylphenylacetonitrile, 75391-57-0, 2-(4-methoxy-3-methylphenyl)acetonitrile, QOMACJMHUFTRJI-UHFFFAOYSA-N, AC1L3PSX, AC1Q4CDS, SCHEMBL1438454, CTK5E1513, DTXSID20226341, ZINC2579199, 1712AC, FCH920339, MFCD00040891, AKOS006343931, Benzeneacetonitrile,4-methoxy-3-methyl-, AJ-42820, AS-46283, 2-(4-methoxy-3-methyl-phenyl)ethanenitrile, AX8098428, TR-024253, FT-0676129, Y-8678, A838401, C-54565, I14-28961, C10H11NO, CID144729,

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	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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