Methyl 3,5-dimethoxybenzoate
Product Information
Molecular Formula
C10H12O4
Molecular Weight
196.20
Description
Methyl 3,5-dimethoxybenzoate (CAS# 2150-37-0) is a useful research chemical.
Synonyms
methyl 3,5-dimethoxybenzoate
IUPAC Name
methyl 3,5-dimethoxybenzoate
SMILES
COC1=CC(=CC(=C1)C(=O)OC)OC
InChI
InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
InChI Key
YXUIOVUOFQKWDM-UHFFFAOYSA-N
Boiling Point
298 °C (lit.)
Melting Point
42-43 °C (lit.)
Flash Point
>230 °F
Purity
> 99.0 % (GC)
Density
1.119 g/cm3
Solubility
Very slightly soluble in water and acetone
Appearance
White to beige powder or granules
Refractive Index
1.5430 (estimate)
LogP
1.49040
Computed Properties
XLogP3
2.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
196.07355886 g/mol
Monoisotopic Mass
196.07355886 g/mol
Topological Polar Surface Area
44.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
181
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
