AG003KTG

1700-29-4 | 2-(4-(Benzyloxy)-3-methoxyphenyl)acetonitrile

AG003KTG

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CAS Number	1700-29-4
Catalog Number	AG003KTG(AGN-PC-04Y22E)
Chemical Name	2-(4-(Benzyloxy)-3-methoxyphenyl)acetonitrile
IUPAC Name	2-(3-methoxy-4-phenylmethoxyphenyl)acetonitrile
InChI	InChI=1S/C16H15NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9,12H2,1H3
InChI Key	KSOYPRFHKIOHMY-UHFFFAOYSA-N
MDL Number	MFCD00016394
Molecular Formula	C16H15NO2
Molecular Weight	253.2958
NSC Number	169520
SMILES	N#CCC1=CC=C(OCC2=CC=CC=C2)C(OC)=C1
Synonyms	1700-29-4, 4-Benzyloxy-3-methoxyphenylacetonitrile, 2-(4-(Benzyloxy)-3-methoxyphenyl)acetonitrile, 4-benzyloxy-3-methoxybenzyl cyanide, 2-[4-(benzyloxy)-3-methoxyphenyl]acetonitrile, KSOYPRFHKIOHMY-UHFFFAOYSA-N, MFCD00016394, AK-33645, [4-(benzyloxy)-3-methoxyphenyl]acetonitrile, 2-(3-methoxy-4-phenylmethoxyphenyl)acetonitrile, Benzeneacetonitrile,3-methoxy-4-(phenylmethoxy)-, Benzeneacetonitrile, 3-methoxy-4-(phenylmethoxy)-, NSC169520, ACMC-209vuk, AC1L6SEW, AC1Q477R, AMBZ0435, SCHEMBL6355596, CTK4D3466, DTXSID60305164, ZINC391541, ZX-AT001281, ANW-45546, OR7895, AKOS015851829, ACM1700294, AM86062, MCULE-7116293248, NSC-169520, PS-7440, VZ28373, KS-00000I26, 4-Benzyl-Oxy-3-Methoxyphenylacetonitrile, (3-Methoxy-4-benzyloxyphenyl)acetonitrile, AJ-21093, BR-33645, CC-18047, ZB012026, AB0022774, AX8016331, DB-043802, TC-030085, 4CH-008901, FT-0617655, ST24027524, ST50408440, W3706, S-1748, 2-(3-methoxy-4-phenylmethoxy-phenyl)ethanenitrile, A811159, C-15674, 2-[3-methoxy-4-(phenylmethoxy)phenyl]ethanenitrile, I14-26986, 4-benzyloxy-3-methoxybenzyl cyanide, 2-(benzyloxy)-5-(cyanomethyl)anisole, C16H15NO2, CID297963, ACN-050625, 2-(4-(benzyloxy)-3-methoxyphenyl) acetonitrile,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.11g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.301g/mol
Monoisotopic Mass	253.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 3439

Certificate of Analysis

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