AG0071HP

4468-57-9 | 2-(2,3-Dimethoxyphenyl)acetonitrile

AG0071HP

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CAS Number	4468-57-9
Catalog Number	AG0071HP(AGN-PC-0JMQ0C)
Chemical Name	2-(2,3-Dimethoxyphenyl)acetonitrile
IUPAC Name	2-(2,3-dimethoxyphenyl)acetonitrile
InChI	InChI=1S/C10H11NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6H2,1-2H3
InChI Key	VAOKGCHIOACZHR-UHFFFAOYSA-N
MDL Number	MFCD00016387
Molecular Formula	C10H11NO2
Molecular Weight	177.1998
SMILES	N#CCC1=CC=CC(OC)=C1OC
Synonyms	2,3-Dimethoxyphenylacetonitrile, 4468-57-9, 2-(2,3-dimethoxyphenyl)acetonitrile, (2,3-dimethoxyphenyl)acetonitrile, AC1L3CFG, AC1Q46FB, SCHEMBL4160051, CTK4I8400, DTXSID40196274, VAOKGCHIOACZHR-UHFFFAOYSA-N, Benzeneacetonitrile,2,3-dimethoxy-, ZINC2565987, (2,5-Dimethoxy-phenyl)-acetonitrile, 3818AE, FCH920071, MFCD00016387, AKOS006343924, ACM4468579, AS-43972, DB-019775, TR-017154, FT-0676295, A24718, Y-9776, C-52738, 2,5-Dimethoxyphenylacetonitrile, C10H11NO2, CID138263, 18086-24-3,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.203g/mol
Monoisotopic Mass	177.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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