1,4-Benzodioxan-6-yl methyl ketone - CAS 2879-20-1

Name: 1,4-Benzodioxan-6-yl methyl ketone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019949
Product Name:	1,4-Benzodioxan-6-yl methyl ketone
CAS:	2879-20-1
Synonyms:	1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Description:	6-Acetylbenzodioxane can be used for anti-inflammatory activity.
Molecular Weight:	178.18
Molecular Formula:	C10H10O3
Canonical SMILES:	CC(=O)C1=CC2=C(C=C1)OCCO2
InChI:	InChI=1S/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3
InChI Key:	HGVWMTAIIYNQSI-UHFFFAOYSA-N
Boiling Point:	313.7 °C at 760 mmHg
Density:	1.188 g/cm³
MDL:	MFCD00006823
LogP:	1.66040

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Other Building Blocks

[147396-07-4]C10H9NOS
(E)-1-(Benzo[b] thiophen- 2- yl)ethanone Oxime
[29278-68-0]C34H30O8
1,4-Butanediol Terephthalate Dibenzyl Ester
[866594-61-8]C7H10O4
(3aS,4R,6aR)-Tetrahydro-4-methoxyfuro[3,4-b]furan-2(3H)-one
[1365727-07-6]C27H26N2O2
6-Methyldi(ondansetron-3-de(1,2-dimethyl-1H-imidazole))
[6872-53-3]C7H11NO2
Norscopine
[31431-28-4]C14H12N2O3
(4-Amino-3-nitrophenyl)(4-methylphenyl)-methanone

GHS Hazard Statement:	H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021039824-A1	Rna methyltransferase inhibitor, screening method therefor, anti-cancer agent efficacy assessment marker, and kit for effectively predicting ftsj1 inhibitor	20190826
US-2020181401-A1	Resin Composition and Molded Body Using Same	20181206
WO-2020020365-A1	Method for preparing optically active eliglustat	20180727
WO-2019219517-A1	Substituted dihydropyrazolo pyrazine carboxamide derivatives	20180517
AU-2019270142-A1	Substituted dihydropyrazolo pyrazine carboxamide derivatives	20180517

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.062994177
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.062994177
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5