AG003K6Z

5438-51-7 | 4-(Cyanomethyl)-2-methoxyphenyl Acetate

AG003K6Z

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CAS Number	5438-51-7
Catalog Number	AG003K6Z(AGN-PC-0SH42C)
Chemical Name	4-(Cyanomethyl)-2-methoxyphenyl Acetate
IUPAC Name	[4-(cyanomethyl)-2-methoxyphenyl] acetate
InChI	InChI=1S/C11H11NO3/c1-8(13)15-10-4-3-9(5-6-12)7-11(10)14-2/h3-4,7H,5H2,1-2H3
InChI Key	DEEQADZOQLBLMP-UHFFFAOYSA-N
MDL Number	MFCD22421594
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
NSC Number	16695
SMILES	CC(OC1=CC=C(CC#N)C=C1OC)=O
Synonyms	4-(cyanomethyl)-2-methoxyphenyl acetate, 5438-51-7, [4-(cyanomethyl)-2-methoxy-phenyl] acetate, [4-(cyanomethyl)-2-methoxyphenyl] acetate, NSC16695, ACMC-1ARFE, AC1L5EOJ, AC1Q4S31, CTK5A0779, DTXSID40280389, KS-000000DS, ZINC1747243, ANW-45961, MFCD22421594, NSC-16695, AKOS015998773, TRA0058041, AJ-31434, AK-86679, CJ-07013, CS-11473, SY022044, AX8227134, TC-134706, 4CH-000729, AM20040681, FT-0688387, ST24023203, W6862, Benzeneacetonitrile,4-(acetyloxy)-3-methoxy-, Acetic acid 4-cyanomethyl-2-methoxyphenyl ester, Benzeneacetonitrile, 4-(acetyloxy)-3-methoxy-, Z-4665, MFCD22421594 (97+%), Acetonitrile, (4-hydroxy-3-methoxyphenyl)-,acetate, [4- -2-methoxy-phenyl]acetate, C11H11NO3, AR-1F6792, CID226322, 6299-68-9,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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