AG003EWT

5351-07-5 | 2-(4-Methoxyphenyl)-2-methylpropanenitrile

AG003EWT

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CAS Number	5351-07-5
Catalog Number	AG003EWT(AGN-PC-0SFDIA)
Chemical Name	2-(4-Methoxyphenyl)-2-methylpropanenitrile
IUPAC Name	2-(4-methoxyphenyl)-2-methylpropanenitrile
InChI	InChI=1S/C11H13NO/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-7H,1-3H3
InChI Key	CDCRUVGWQJYTFO-UHFFFAOYSA-N
MDL Number	MFCD00229868
Molecular Formula	C11H13NO
Molecular Weight	175.2270
NSC Number	98
SMILES	CC(C)(C1=CC=C(OC)C=C1)C#N
Synonyms	2-(4-methoxyphenyl)-2-methylpropanenitrile, 5351-07-5, 2-(4-Methoxyphenyl)-2-methylpropionitrile, 2-(4-methoxy-phenyl)-2-methyl-propionitrile, NSC98, AC1Q4QMW, SCHEMBL989065, AC1L566G, NSC-98, CTK4J8277, DTXSID50276955, CDCRUVGWQJYTFO-UHFFFAOYSA-N, ZINC393280, KS-00000ED2, 7620AB, MFCD00229868, SBB055157, AKOS010213991, DS-2885, MCULE-1641457310, TRA0021289, AJ-21274, CJ-03585, SC-26869, SY002170, TS-02426, Benzeneacetonitrile,4-methoxy-a,a-dimethyl-, DB-071695, ST2403969, TC-272079, 4CH-017333, FT-0691241, K-0079, alpha,alpha-Dimethyl-4-methoxybenzeneacetonitrile, MFCD00229868 (97+%), 2-(P-METHOXYPHENYL)-2-METHYLPROPIONITRILE, I01-9977, 2- -2-methylpropanenitrile, C11H13NO, AR-1C7919, CID219166, 100505-13-3,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.1g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.231g/mol
Monoisotopic Mass	175.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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