AG002K36

20921-96-4 | Benzeneacetic acid, 2-cyano-, methyl ester

AG002K36

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CAS Number	20921-96-4
Catalog Number	AG002K36(AGN-PC-0K69DV)
Chemical Name	Benzeneacetic acid, 2-cyano-, methyl ester
IUPAC Name	methyl 2-(2-cyanophenyl)acetate
InChI	InChI=1S/C10H9NO2/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6H2,1H3
InChI Key	MBLNSABLVSWAKD-UHFFFAOYSA-N
MDL Number	MFCD02181139
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O=C(OC)CC1=CC=CC=C1C#N
Synonyms	20921-96-4, Methyl 2-(2-cyanophenyl)acetate, Methyl (2-cyanophenyl)acetate, methyl 2-cyanophenylacetate, (2-CYANO-PHENYL)-ACETIC ACID METHYL ESTER, Benzeneacetic acid, 2-cyano-, methyl ester, ACMC-209ffr, AC1LTQI2, Methyl-(2-cyanophenyl)acetate, AMBZ0343, SCHEMBL1558841, CTK1A1590, DTXSID40363742, MBLNSABLVSWAKD-UHFFFAOYSA-N, methyl (2-cyano-2-phenyl)acetate, ZINC1433282, 0694AB, ANW-24277, CL9058, FCH920020, MFCD02181139, 2-Cyanobenzeneacetic acid methyl ester, AKOS006238134, AB11476, AM85662, AS06091, CM13681, AJ-25906, CJ-04976, OR315359, AB0058856, AX8028019, DB-011576, TC-113022, 4CH-024348, FT-0693487, ST24047608, B-7815, M14150, Z-8156, I01-8526, C10H9NO2, Methyl2-(2-cyanophenyl)acetate, METHYL(2-CYANOPHENYL)ACETATE, ACN-052081, CID1512623,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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