AG00805Y

13620-31-0 | Acetonitrile, (phenylmethoxy)-

AG00805Y

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CAS Number	13620-31-0
Catalog Number	AG00805Y(AGN-PC-0KTQ0V)
Chemical Name	Acetonitrile, (phenylmethoxy)-
IUPAC Name	2-phenylmethoxyacetonitrile
InChI	InChI=1S/C9H9NO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,7-8H2
InChI Key	GGPBLVPUGZMOPT-UHFFFAOYSA-N
MDL Number	MFCD00225293
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	N#CCOCC1=CC=CC=C1
Synonyms	2-(benzyloxy)acetonitrile, 13620-31-0, 2-phenylmethoxyacetonitrile, Acetonitrile, (phenylmethoxy)-, (BENZYLOXY)ACETONITRILE, Acetonitrile, 2-(phenylmethoxy)-, AC1MQALG, (benzyloxy)-acetonitrile, AC1Q4SJS, 2-phenylmethoxyethanenitrile, BENZYLOXY-ACETONITRILE, 2-(Phenylmethoxy)acetonitrile, SCHEMBL5797457, CTK0F3913, DTXSID70392126, ZINC3130524, MFCD00225293, AKOS000183800, MCULE-6973958240, NE11404, AJ-44553, BS-13455, DA-11369, SY129386, FT-0752733, EN300-60099, MFCD00225293 (95%), A844264, Z1245735285, 2-Benzyloxy-acetonitrile, CID3398610, 92552-22-2,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number