AG003TOH

3598-14-9 | 2-Phenoxyacetonitrile

AG003TOH

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CAS Number	3598-14-9
Catalog Number	AG003TOH(AGN-PC-0JOG72)
Chemical Name	2-Phenoxyacetonitrile
IUPAC Name	2-phenoxyacetonitrile
InChI	InChI=1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChI Key	VLLSCJFPVSQXDM-UHFFFAOYSA-N
MDL Number	MFCD00052017
Molecular Formula	C8H7NO
Molecular Weight	133.1473
NSC Number	49354
SMILES	N#CCOC1=CC=CC=C1
Synonyms	Phenoxyacetonitrile, 2-phenoxyacetonitrile, 3598-14-9, Acetonitrile, phenoxy-, VLLSCJFPVSQXDM-UHFFFAOYSA-N, MFCD00052017, 2-phenoxyethanenitrile, phenoxy-acetonitrile, NSC49354, 2-Phenoxy-acetonitrile, ACMC-1AJCH, Acetonitrile,2-phenoxy-, AC1Q4SJJ, AC1Q4SJQ, Phenoxyacetonitrile, 98%, AC1L67SH, SCHEMBL180023, CTK4H5697, DTXSID60287158, KS-00000EE7, STR06531, ZINC1681319, 4519AB, NSC-49354, SBB016774, AKOS000189940, MCULE-2305354625, NE11056, TRA0160930, AJ-29681, CJ-06306, SC-26904, SY005439, AB1000469, DB-069288, TC-165491, FT-0751344, P2217, ST50405004, EN300-32030, MFCD00052017 (97+%), I14-49271, Z53792061, null, C8H7NO, AR-1L0381, CID241641, Phenoxyacetonitrile, 98% - 25G 25g, 82773-10-2,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	133.15g/mol
Monoisotopic Mass	133.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number