AG003KMT

41855-35-0 | 4-ACETYLBENZO-18-CROWN 6-ETHER

AG003KMT

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CAS Number	41855-35-0
Catalog Number	AG003KMT(AGN-PC-0WG3MZ)
Chemical Name	4-ACETYLBENZO-18-CROWN 6-ETHER
IUPAC Name	1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone
InChI	InChI=1S/C18H26O7/c1-15(19)16-2-3-17-18(14-16)25-13-11-23-9-7-21-5-4-20-6-8-22-10-12-24-17/h2-3,14H,4-13H2,1H3
InChI Key	GOVDFSVHYMATAJ-UHFFFAOYSA-N
MDL Number	MFCD00188456
Molecular Formula	C18H26O7
Molecular Weight	354.3948
SMILES	CC(=O)C1=CC2=C(OCCOCCOCCOCCOCCO2)C=C1
Synonyms	4'-Acetylbenzo-18-crown 6-Ether, 41855-35-0, 1-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)ethanone, 1-(2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecin-18-yl)ethanone, AC1MU5PY, MLS001030080, CHEMBL1340743, SCHEMBL14849222, CTK8B2974, DTXSID20394776, GOVDFSVHYMATAJ-UHFFFAOYSA-N, HMS2780P19, ZINC3895823, ANW-41527, MFCD00188456, STL089780, AKOS001025497, MCULE-7593769015, ACM41855350, CC-17646, SMR000427501, ST023668, UPCMLD0ENAT0400-2009:001, TR-016481, FT-0639743, AF-962/32161012, C-28450, SR-01000390008, SR-01000390008-1, I14-49502, Z56755907, 3',4'-[Ethylenebis(oxyethyleneoxyethyleneoxy)]acetophenone, 2,3-(4-Acetylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene, 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone, 1-(DECAHYDRO-5,8,11,14,17,20-HEXAOXA-BENZOCYCLOOCTADECEN-2-YL)-ETHANONE, 1-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)ethan-1-one, 1-(6,7,9,10,12,13,15,16,18,19-Decahydro-5,8,11,14,17,20-hexaoxa-benzocyclooctadecen-2-yl)-ethan one, 18-acetyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrobenzo[a][18]annu lene, ethanone, 1-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-, 4'-Acetylbenzo-18-crown-6, 4/'-Acetylbenzo-18-crown 6-Ether, ZINC03895823, CID3660800, A1604,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	354.168g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	354.399g/mol
Monoisotopic Mass	354.168g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	72.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number