AG003O2I

6652-28-4 | Benzoin isopropyl ether

AG003O2I

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CAS Number	6652-28-4
Catalog Number	AG003O2I(AGN-PC-0JLHOT)
Chemical Name	Benzoin isopropyl ether
EC Number	229-677-2
IUPAC Name	1,2-diphenyl-2-propan-2-yloxyethanone
InChI	InChI=1S/C17H18O2/c1-13(2)19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h3-13,17H,1-2H3
InChI Key	MSAHTMIQULFMRG-UHFFFAOYSA-N
MDL Number	MFCD00015025
Molecular Formula	C17H18O2
Molecular Weight	254.3236
SMILES	O=C(C1=CC=CC=C1)C(C2=CC=CC=C2)OC(C)C
Synonyms	Benzoin isopropyl ether, 6652-28-4, 2-Isopropoxy-1,2-diphenylethanone, Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-, 2-Isopropoxy-2-phenylacetophenone, MSAHTMIQULFMRG-UHFFFAOYSA-N, MFCD00015025, EINECS 229-677-2, Acetophenone, 2-isopropoxy-2-phenyl-, AC1Q1QLD, AC1Q5EVV, CBMicro_021426, 2-(1-Methylethoxy)-1,2-diphenylethan-1-one, AC1L38LP, Cambridge id 5476007, Oprea1_018388, SCHEMBL25827, Benzoin isopropyl ether, 98%, MSAHTMIQULFMRG-UHFFFAOYSA-, CCG-8907, AKOS015902761, MCULE-5307232506, VZ31307, 1,2-diphenyl-2-propan-2-yloxyethanone, alpha-Isopropoxy-alpha-phenylacetophenone, CC-24390, 1,2-di(phenyl)-2-propan-2-yloxyethanone, BIM-0021396.P001, 2-(methylethoxy)-1,2-diphenylethan-1-one, B0942, FT-0622716, ST50320137, C-15765, SR-01000210296, SR-01000210296-1, I14-20025, I14-46652, InChI=1/C17H18O2/c1-13(2)19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h3-13,17H,1-2H3, BENZOINISOPROPYLETHER, C17H18O2, |A-Isopropoxy-|A-phenylacetophenone, AR-1E2905, CID110912, ZINC00394784, C17-H18-O2, R213, Ethanone,2-(1-methylethoxy)-1,2-diphenyl-, Benzoin isopropyl ether, 99% - 100G 100g, 921-53-9,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.131g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.329g/mol
Monoisotopic Mass	254.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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