3,4-Dimethoxybenzylideneacetone

CAT: 0127-OR1029538-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1029538-01Size:250 mg

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CAS Number

15001-27-1

Synonyms

(E) -4- (3,4-dimethoxyphenyl) but-3-en-2-one

Purity

98%

Smiles

CC(=O)/C=C/C1=CC(=C(C=C1)OC)OC

Chemical Information

Veratralacetone

CAS Number	15001-27-1
PubChem CID	5825725
IUPAC Name	(E)-4-(3,4-dimethoxyphenyl)but-3-en-2-one
Molecular Formula	C12H14O3
Molecular Weight	206.24
XLogP	1.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	235

SMILES

CC(=O)/C=C/C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C12H14O3/c1-9(13)4-5-10-6-7-11(14-2)12(8-10)15-3/h4-8H,1-3H3/b5-4+

InChIKey

XUYBNDHXZMIALN-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 15001-27-1

CID: 5825725

Formula: C12H14O3

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	206.094294304
Monoisotopic Mass	206.094294304
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC49624	3,3,4,4,4-Pentafluorobutylamine
IN10355	Bis (3,5,3’,5’-dimethoxydibenzylideneacetone) palladium
PC99558	3,3,4,4-Tetrafluorocyclobutene
PC3384-01	3,3,4,4-Tetrafluorotetrahydrofuran
PC450389	4-Bromo-3,3,4,4-tetrafluorobutyl 2,2,3,3,4,4,4-heptafluorobutyl carbonate
PC48457	3,3,4,4,4-Pentafluorobutanoic acid
PC107581	4-Bromo-3,3,4,4-tetrafluorobutoxybenzene
PC0035	4,4,4-Trifluoro-3,3-dimethoxybutanol
PC107158	3- (4-Bromo-3,3,4,4-tetrafluorobutoxy) propionitrile
PC107423	4- (4-Bromo-3,3,4,4-tetrafluorobutoxy) aniline

Catalog	Name
sc-266897	3,4-Dimethoxybenzylideneacetone
B810001	Butyric Anhydride-3,3,3',3',4,4,4,4',4',4'-d10
HY-W009390S-01	DL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
sc-480128A	DL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8
TRC-H591292-250MG	DL-Homocystine-3,3,3',3',4,4,4',4'-d8
TRC-H591362-1MG	L-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
TRC-P227543-50MG	3,3,4,4,4-Pentafluorobutylamine
PAA04709	3,3,4,4-Tetrachloroazobenzene
RG-A262638-01	3,4,3',4'- Tetrabromobiphenyl
sc-322651	3,3',4,4'-Tetrachlorobenzophenone