(3,4-Dimethoxyphenyl)acetone - CAS 776-99-8

Catalog:	BB036013
Product Name:	(3,4-Dimethoxyphenyl)acetone
CAS:	776-99-8
Synonyms:	1-(3,4-dimethoxyphenyl)-2-propanone; 1-(3,4-dimethoxyphenyl)propan-2-one

Technical Data

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Computed Properties

IUPAC Name:	1-(3,4-dimethoxyphenyl)propan-2-one
Description:	(3,4-Dimethoxyphenyl)acetone (CAS# 776-99-8 ) is a useful research chemical.
Molecular Weight:	194.23
Molecular Formula:	C11H14O3
Canonical SMILES:	CC(=O)CC1=CC(=C(C=C1)OC)OC
InChI:	InChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7H,6H2,1-3H3
InChI Key:	UMYZWICEDUEWIM-UHFFFAOYSA-N
Boiling Point:	154-158 °C (12 mmHg)
Density:	1.115 g/cm³
MDL:	MFCD00008772
LogP:	1.83530

Publication Number	Title	Priority Date
CN-111302970-A	Preparation method of 3, 4-dimethoxy benzonitrile	20200403
CN-111302970-B	Preparation method of 3, 4-dimethoxy benzonitrile	20200403
CN-111233599-A	Aromatic ring ortho-iodoalkanone and synthetic method and application thereof	20200207
CN-111233599-B	Aromatic ring ortho-iodoalkanone and synthetic method and application thereof	20200207
CN-110590529-A	Preparation method of 1-aryl-2-acetone compound	20190925

PMID	Publication Date	Title	Journal
16003558	20060101	Microbial synthesis of chiral amines by (R)-specific transamination with Arthrobacter sp. KNK168	Applied microbiology and biotechnology
14677709	20031101	Microbial synthesis of (R)- and (S)-3,4-dimethoxyamphetamines through stereoselective transamination	Biotechnology letters

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GHS Hazard Statement:	H315 (100%): 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

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.094294304
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.094294304
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1