AG003IE2

3160-37-0 | 3,4-(Methylenedioxy)benzylideneacetone

AG003IE2

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CAS Number	3160-37-0
Catalog Number	AG003IE2(AGN-PC-0JKE40)
Chemical Name	3,4-(Methylenedioxy)benzylideneacetone
EC Number	221-608-4
IUPAC Name	(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
InChI	InChI=1S/C11H10O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h2-6H,7H2,1H3/b3-2+
InChI Key	XIYPXOFSURQTTJ-NSCUHMNNSA-N
MDL Number	MFCD00016907
Molecular Formula	C11H10O3
Molecular Weight	190.1953
NSC Number	217304
SMILES	CC(=O)C=Cc1ccc2OCOc2c1
UNII	T43BYJ64EG
Synonyms	4-(1,3-benzodioxol-5-yl)-3-butene-2-one, piperonylidene acetone, piperonylidene acetone, (E)-isomer, Piperonalacetone, 3160-37-0, Heliotropyl acetone, Acetone, piperonylidene-, Piperonylideneacetone, Piperonylidene acetone, 3,4-(METHYLENEDIOXY)BENZYLIDENEACETONE, UNII-T43BYJ64EG, 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-, NSC 217304, NSC 407384, CCRIS 6270, HSDB 1300, 3,4-(Methylenedioxy)benzalacetone, 4-(1,3-Benzodioxol-5-yl)-3-buten-2-one, EINECS 221-608-4, 2-Butanone, 4-(3,4-(methylenedioxy)phenyl)-, 3-Buten-2-one, 4-(3,4-(methylenedioxy)phenyl)-, T43BYJ64EG, 3,4-Methylenedioxybenzyl acetone, AI3-20860, 4-(3,4-(Methylenedioxy)phenyl)-2-butanone, Piperonal acetone, 4-(3,4-Methylenedioxyphenyl)but-3-en-2-one, XIYPXOFSURQTTJ-NSCUHMNNSA-N, 4-(3,4-(Methylenedioxy)phenyl)-3-buten-2-one, (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one, (E)-4-[3,4-(methylenedioxy)phenyl]but-3-en-2-one, MFCD00016907, (3E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one, 4-(Benzo[d][1,3]dioxol-5-yl)but-3-en-2-one, 3-Buten-2-one, 4-(3,4-(methylenedioxy)phenyl)- (6CI,7CI,8CI), 4-[3,4-(Methylenedioxy)phenyl]-2-butanone, WLN: T56 BO DO CHJ G2V1, 2-Butanone,4-(methylenedioxy)phenyl]-, 3-Buten-2-one,3-benzodioxol-5-yl)-, 3-Buten-2-one,4-(methylenedioxy)phenyl]-, piperonylene- acetone, AC1O0HAS, CHEMBL104084, ZINC1754404, FCH918569, NSC217304, SBB058370, STK013640, AKOS005377221, ACM3160370, FCH5185835, LS-1184, NSC-217304, NCGC00249230-01, 22214-31-9, 5-(3-Oxo-1-butenyl)-1,3-benzodioxole, BBV-38737569, BP-10730, CC-33817, CJ-29662, OR322168, 3,4-METHYLENEDIOXYBENZYLIDENEACETONE, ST50827486, 1-(3,4-Methylenedioxyphenyl)but-2-en-3-one, (E)-1-(1,3-Benzodioxol-5-yl)-1-buten-3-one, (E)-4-(1,3-benzodioxol-5-yl)-3-buten-2-one, A820925, C-08393, (3E)-4-(2H-1,3-benzodioxol-5-yl)but-3-en-2-one, (E)-4-(benzo[d][1,3]dioxol-5-yl)but-3-en-2-one, (3E)-4-(2H-benzo[d]1,3-dioxolen-5-yl)but-3-en-2-one, (3E)-4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)but-3-en-2-one, PIPERONYL ACETONE, 3,4- BENZYLIDENEACETONE, 3,4-Methylenedioxybenzylidene acetone, C11H10O3, C11-H10-O3, CID6040503, 3-Buten-2-one, 4-[3,4-(methylenedioxy)phenyl]-,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	190.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.198g/mol
Monoisotopic Mass	190.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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

Lot Number