AG003NRS

5762-35-6 | Alpha-acetoxyphenylacetonitrile

AG003NRS

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CAS Number	5762-35-6
Catalog Number	AG003NRS(AGN-PC-0SO4UD)
Chemical Name	Alpha-acetoxyphenylacetonitrile
IUPAC Name	[cyano(phenyl)methyl] acetate
InChI	InChI=1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3
InChI Key	MUXDFYRMYMEGCM-UHFFFAOYSA-N
MDL Number	MFCD22205885
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
NSC Number	75733
SMILES	CC(=O)OC(C#N)C1=CC=CC=C1
Synonyms	alpha-Acetoxyphenylacetonitrile, 5762-35-6, cyano(phenyl)methyl acetate, [cyano(phenyl)methyl] acetate, NSC75733, O-acetylmandelonitrile, alpha-Cyanobenzyl acetate, AC1L5NJU, AC1Q4QV4, (cyano-phenylmethyl) acetate, NCIOpen2_000939, alpha -Acetoxyphenylacetonitrile, SCHEMBL2835326, CTK5A7182, KS-00000BOD, MUXDFYRMYMEGCM-UHFFFAOYSA-, DTXSID70291463, 6517AJ, MFCD22205885, NSC-75733, AKOS023253499, FCH1601180, TRA0021519, AS-31685, SY019891, TC-292452, Z-4562, MFCD22205885 (95+%), InChI=1/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3, C10H9NO2, AR-1I2791, CID253159, 63716-64-3,

Complexity	222
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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number