AG001JM4

14447-18-8 | Acetic acid, 2-cyano-, phenylmethyl ester

AG001JM4

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CAS Number	14447-18-8
Catalog Number	AG001JM4(AGN-PC-0JSWMK)
Chemical Name	Acetic acid, 2-cyano-, phenylmethyl ester
IUPAC Name	benzyl 2-cyanoacetate
InChI	InChI=1S/C10H9NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6,8H2
InChI Key	RCUIWQWWDLZNMS-UHFFFAOYSA-N
MDL Number	MFCD00051719
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	C(#N)CC(=O)OCC1=CC=CC=C1
Synonyms	Benzyl cyanoacetate, 14447-18-8, benzyl 2-cyanoacetate, Cyanoacetic acid benzyl ester, Acetic acid, cyano-, phenylmethyl ester, RCUIWQWWDLZNMS-UHFFFAOYSA-N, MFCD00051719, benzyl-cyanoacetate, Acetic acid, cyano-, benzyl ester, ACMC-20alph, Acetic acid, 2-cyano-, phenylmethyl ester, AC1LBN3Q, Benzyl cyanoacetate, 97%, phenylmethyl 2-cyanoacetate, AC1Q4RZ0, SCHEMBL187996, Cyano-acetic acid benzyl ester, Benzyl ester of cyanoacetic acid, CTK4C4094, DTXSID70340021, KS-00002A3L, ZINC2510121, ZX-AT006895, OR2049, AKOS015908472, FCH1114492, MCULE-8607943081, PS-4116, Acetic acid, 2-cyano-,phenylmethyl ester, AK187815, SC-94075, TC-167804, FT-0622769, FT-0622840, ST50407950, K-4631, J-007955, I14-34786, Cyanoacetic acid benzyl ester, [(Benzyloxy)carbonyl]acetonitrile, Benzyl cyanoacetate, 97% 25g, AR-1H9510, CID560818, ZINC02510121, 1448-74-4,

Complexity	210
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	4
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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