1,2,3,5-Tetramethoxybenzene - CAS 5333-45-9

Catalog:	BB028153
Product Name:	1,2,3,5-Tetramethoxybenzene
CAS:	5333-45-9
Synonyms:	1,2,3,5-tetramethoxybenzene

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Computed Properties

IUPAC Name:	1,2,3,5-tetramethoxybenzene
Description:	1,2,3,5-Tetramethoxybenzene (CAS# 5333-45-9) is a useful research chemical.
Molecular Weight:	194.18
Molecular Formula:	C10H14O4
Canonical SMILES:	COC1=CC(=C(C(=C1)OC)OC)OC
InChI:	InChI=1S/C10H14O4/c1-11-7-5-8(12-2)10(14-4)9(6-7)13-3/h5-6H,1-4H3
InChI Key:	OIHYPOOSWQXFMZ-UHFFFAOYSA-N
Boiling Point:	277.4 °C at 760 mmHg
Density:	1.068 g/cm³
Appearance:	White to off-white solid, powder, crystalline powder and/or chunks
MDL:	MFCD00017154
LogP:	1.72100

Publication Number	Title	Priority Date
JP-2021057579-A	Manufacturing methods for organic semiconductor compositions, photovoltaic devices, photoelectric conversion devices and photovoltaic devices	20190930
CN-107188878-A	A kind of antiseptic and its synthetic method and application	20170704
US-2018214387-A1	Aqueous solution comprising a polyphenol	20150720
US-2018221303-A1	Peritoneal therapeutic fluid	20150720
US-2020108026-A1	Aqueous solution comprising a polyphenol	20150720

PMID	Publication Date	Title	Journal
21902275	20111104	Direct functionalization of (un)protected tetrahydroisoquinoline and isochroman under iron and copper catalysis: two metals, two mechanisms	The Journal of organic chemistry
19045208	20081021	The structure, methyl rotation reflected in inelastic and quasielastic neutron scattering and vibrational spectra of 1,2,3,5-tetramethoxybenzene and its 2:1 complex with 1,2,4,5-tetracyanobenzene	The Journal of chemical physics
18433110	20080522	The solvation of carbenes: π and O-ylidic complexes of p-nitrophenylchlorocarbene	The journal of physical chemistry. A
16131072	20050901	Thermally assisted hydrolysis and methylation of purified tannins from plants	Analytical chemistry

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.08920892
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.08920892
Rotatable Bond Count:	4
Topological Polar Surface Area:	36.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4