AG00EFVL

6525-45-7 | ETHYL 2-CYANOBENZOATE 97

AG00EFVL

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CAS Number	6525-45-7
Catalog Number	AG00EFVL(AGN-PC-0JOHMU)
Chemical Name	ETHYL 2-CYANOBENZOATE 97
IUPAC Name	ethyl 2-cyanobenzoate
InChI	InChI=1S/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3
InChI Key	RQQAJOJDAZNFPF-UHFFFAOYSA-N
MDL Number	MFCD03423595
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
NSC Number	54113
SMILES	O=C(OCC)C1=CC=CC=C1C#N
Synonyms	Ethyl 2-cyanobenzoate, 6525-45-7, Benzoic acid, 2-cyano-, ethyl ester, ACMC-20afuo, AC1L6CJQ, AC1Q4RHH, Ethyl 2-cyanobenzoate #, Ethyl-2-cyanobenzoate,97%, Ethyl 2-cyanobenzoate, 97%, SCHEMBL120324, 2-Cyanobenzoic acid ethyl ester, CTK5C2443, 2-cyano-benzoic acid ethyl ester, DTXSID50288098, RQQAJOJDAZNFPF-UHFFFAOYSA-N, ETHYL 2-CYANOBENZOATE 97, KS-00000IN8, NSC54113, ZINC1684989, Benzoic acid, 2-cyano-,ethyl ester, ANW-71470, MFCD03423595, NSC-54113, SBB053709, TD1357, AKOS015902649, AS06913, CS-W003061, FS-2693, MCULE-8825780613, AC-28477, AJ-29810, AK-82519, CJ-06369, SC-27176, SY005786, AB0056034, DB-012989, ST2412939, TC-160215, 4CH-000250, FT-0745864, ST50949681, Z4997, MFCD03423595 (95%), M-8193, I14-19445, C10H9NO2, AR-1I8407, CID243890, 735-18-2,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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