Methyl 3-methoxybenzoate - CAS 5368-81-0

Catalog:	BB028322
Product Name:	Methyl 3-methoxybenzoate
CAS:	5368-81-0
Synonyms:	methyl 3-methoxybenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-methoxybenzoate
Description:	Methyl 3-methoxybenzoate (CAS# 5368-81-0) is a useful research chemical.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	COC1=CC=CC(=C1)C(=O)OC
InChI:	InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3
InChI Key:	DUKYPQBGYRJVAN-UHFFFAOYSA-N
Boiling Point:	88-90 °C / 1 mmHg, 252 °C at 760 mmHg
Density:	1.15 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00017193
LogP:	1.48180

Publication Number	Title	Priority Date
CN-111808059-A	Tumor diagnosis and treatment fluorescent probe for targeting tumor Woberg effect	20200616
CN-111217847-A	Thiosilane ligand, preparation method thereof and application thereof in aryl boronization catalytic reaction	20191121
CN-111217847-B	Thiosilane ligand, preparation method thereof and application thereof in aryl boronization catalytic reaction	20191121
WO-2021074392-A1	Visual detection of pbd induced dna crosslinks	20191016
WO-2021057910-A1	Peptidylarginine deiminase inhibitor and use thereof	20190927

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Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3