AG003GAO

5715-02-6 | 2-Cyanophenyl acetate

AG003GAO

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CAS Number	5715-02-6
Catalog Number	AG003GAO(AGN-PC-0JLS8X)
Chemical Name	2-Cyanophenyl acetate
EC Number	227-210-7
IUPAC Name	(2-cyanophenyl) acetate
InChI	InChI=1S/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,1H3
InChI Key	XXLKCUTUGWSJJO-UHFFFAOYSA-N
MDL Number	MFCD00017360
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	CC(OC1=CC=CC=C1C#N)=O
Synonyms	2-Cyanophenyl acetate, 2-Acetoxybenzonitrile, 5715-02-6, Benzonitrile,2-(acetyloxy)-, XXLKCUTUGWSJJO-UHFFFAOYSA-N, o-acetoxybenzonitrile, PubChem13326, (2-cyanophenyl) acetate, 2-Cyanophenyl acetate #, ACMC-1ASO4, AC1L2Y5C, AC1Q61OK, Benzonitrile, 2-(acetyloxy)-, SCHEMBL5473941, Acetic Acid 2-Cyanophenyl Ester, CTK5A6363, DTXSID40205779, ZINC164631, EINECS 227-210-7, ANW-13997, AKOS005199268, VZ24468, KS-0000179J, AJ-16247, AS-44267, ZB008235, DB-020980, TC-102742, FT-0635816, ST50824801, I14-85918, 4-Fluorobenzeneboronic acid, CID79791, AR-1E0907, MFCD00017360, ZINC00164631, A1118, 5979-11-3,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

Lot Number