AG0032NB

538-58-9 | ((1Z,4E)-3-Methylenepenta-1,4-diene-1,5-diyl)dibenzene

AG0032NB

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CAS Number	538-58-9
Catalog Number	AG0032NB(AGN-PC-0BT0N1)
Chemical Name	((1Z,4E)-3-Methylenepenta-1,4-diene-1,5-diyl)dibenzene
IUPAC Name	(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
InChI	InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
InChI Key	WMKGGPCROCCUDY-PHEQNACWSA-N
MDL Number	MFCD00004790
Molecular Formula	C17H14O
Molecular Weight	234.2925
NSC Number	623642
SMILES	O=C(/C=C/C1=CC=CC=C1)/C=C/C2=CC=CC=C2
UNII	9QXO7BCY9L
Synonyms	dibenzalacetone, dibenzylidene acetone, Dibenzylideneacetone, 35225-79-7, 538-58-9, trans,trans-Dibenzylideneacetone, (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one, 1,5-Diphenylpenta-1,4-dien-3-one, Dibenzalacetone, Dibenzylidene acetone, Distyryl ketone, 1,5-Diphenyl-1,4-pentadien-3-one, trans,trans-Dibenzalacetone, 1,5-Diphenyl-3-pentadienone, trans,trans-1,5-Diphenyl-1,4-pentadien-3-one, UNII-9QXO7BCY9L, 1,4-Pentadien-3-one, 1,5-diphenyl-, (1E,4E)-, (1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one, DIBENZAL ACETONE, (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one, MFCD00004790, 9QXO7BCY9L, CHEMBL17201, MLS000331978, WMKGGPCROCCUDY-PHEQNACWSA-N, NSC623642, trans,trans-Dibenzylideneacetone, 98%, SMR000221439, trans,trans-1,5-Diphenylpenta-1,4-dien-3-one, 1,4-Pentadien-3-one, 1,5-diphenyl-, (E,E)-1,5-DIPHENYL-1,4-PENTADIEN-3-ONE, J-400838, EINECS 208-697-5, NSC-117234, Dibenzalacetone [MI], 1,5-diphenyl-penta-1,4-dien-3-one, AK-44582, AK-77431, PubChem15951, Opera_ID_794, (E)-Dibenzylideneacetone, AC1Q1HEG, Bis[(E)-styryl] ketone, DBAC01, trans,trans-Distyryl Ketone, ghl.PD_Mitscher_leg0.154, 1,4-Pentadien-3-one, 1,5-diphenyl-, (E,E)-, AC1LD048, cid_640180, DTXSID0060224, trans,trans-dibenzylidene acetone, HMS1473B05, HMS2547J23, AKOS 213-33, ZINC1504183, ZX-AT021129, 4359AB, BBL010739, BDBM50240379, SBB055271, STK801751, 1, 5-diphenylpenta-1,4-dien-3-one, 1,5-Diphenyl-1,4-pentadiene-3-one, AKOS000277208, 1,5-Diphenyl-1E,4E-pentadien-3-one, AC-8839, AC-8840, AN-7642, AS03851, CHM0032447, EBD2761157, LS11354, MP-0276, NSC-623642, OR21074, RL03996, RP13462, RTC-070646, ACM35225797, IDI1_019345, NCGC00176652-01, AJ-26416, AS-11697, CJ-05117, CJ-23735, SC-66275, (E)-1-Phenyl-2-(3-phenylacryloyl)ethene, AX8016598, AX8222314, TC-070619, TC-070646, D0903, ST24020088, ST50319357, TL80090705, (1Z,4E)-1,5-Diphenyl-1,4-pentadien-3-one, trans, trans-1,5-diphenylpenta-1,4-dien-3-one, (1E, 4E)-1,5-diphenyl penta-1,4-dien-3-one, (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one #, S14-1254, trans,trans-Dibenzylideneacetone, >=98.0% (HPLC), 1,5-diphenyl-1,4-pentadiene-3-one 35225-79-7, F0349-3714, InChI=1/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12, Styrol ketone, Bis(2-phenylvinyl) ketone, C17H14O, AR-1I3851, C17-H14-O, CID640180, ACN-031899, NSC 117234, trans,trans-Dibenzylideneacetone, 98% 5g, (4E)-1,5-diphenylpenta-1,4-dien-3-one, AI3-00896, trans,trans-Dibenzylideneacetone, 99% - 100G 100g, 36272-57-8, DBA,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	234.104g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.298g/mol
Monoisotopic Mass	234.104g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number