AG00FE9A

721-04-0 | 2'-Phenoxyacetophenone

AG00FE9A

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CAS Number	721-04-0
Catalog Number	AG00FE9A(AGN-PC-0JNBE2)
Chemical Name	2'-Phenoxyacetophenone
IUPAC Name	2-phenoxy-1-phenylethanone
InChI	InChI=1S/C14H12O2/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10H,11H2
InChI Key	KRSXGTAVHIDVPM-UHFFFAOYSA-N
MDL Number	MFCD00156689
Molecular Formula	C14H12O2
Molecular Weight	212.2439
NSC Number	7586
SMILES	C(=O)(COc1ccccc1)c1ccccc1
Synonyms	2-phenoxy-1-phenylethanone, 2-phenoxyacetophenone, 2-phenoxy-1-phenylethanone, 721-04-0, alpha-phenoxyacetophenone, 2-phenoxy-1-phenyl-ethanone, 2-phenoxy-1-phenylethan-1-one, MLS002638022, CHEBI:52401, NSC7586, a-phenoxyacetophenone, AC1L5BEP, AC1Q5F6X, 2-phenoxy-1-phenyl ethanone, CHEMBL239513, SCHEMBL1068092, CTK2H8190, KRSXGTAVHIDVPM-UHFFFAOYSA-N, HMS3085O09, ZINC402073, KS-000017RH, NSC-7586, MFCD00156689, AKOS008908306, AS05208, CM11226, MCULE-6129436962, AJ-21824, AK156641, SMR001547525, AX8290887, P2121, 2'-Phenoxyacetophenone, AR-1E4748, CID222171, 92963-95-6,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.248g/mol
Monoisotopic Mass	212.084g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number