Methyl 2,3-dimethoxybenzoate - CAS 2150-42-7

Catalog:	BB016920
Product Name:	Methyl 2,3-dimethoxybenzoate
CAS:	2150-42-7
Synonyms:	methyl 2,3-dimethoxybenzoate

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Computed Properties

IUPAC Name:	methyl 2,3-dimethoxybenzoate
Description:	Methyl 2,3-dimethoxybenzoate (CAS# 2150-42-7) is a useful research chemical.
Molecular Weight:	196.20
Molecular Formula:	C10H12O4
Canonical SMILES:	COC1=CC=CC(=C1OC)C(=O)OC
InChI:	InChI=1S/C10H12O4/c1-12-8-6-4-5-7(9(8)13-2)10(11)14-3/h4-6H,1-3H3
InChI Key:	MGLIMPUPAKQITQ-UHFFFAOYSA-N
Boiling Point:	180-185 °C / 50 mmHg (lit.)
Density:	1.119 g/cm³
MDL:	MFCD00027555
LogP:	1.49040

Publication Number	Title	Priority Date
WO-2019123866-A1	Temperature sensing material, and temperature deviation time estimating system employing same	20171221
AU-2018283053-A1	Imidazole-containing inhibitors of ALK2 kinase	20170615
CN-110913855-A	Imidazole-containing ALK2 kinase inhibitors	20170615
EP-3638229-A1	Imidazole-containing inhibitors of alk2 kinase	20170615
KR-20200028939-A	ALK2 kinase inhibitors containing imidazole	20170615

PMID	Publication Date	Title	Journal
21467676	20110101	2-Aryl-1,4-naphthoquinone-1-oxime methyl ethers: their cytotoxic activity	Chemical & pharmaceutical bulletin

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.07355886
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.07355886
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2