CAS 3840-31-1 | (3,4,5-Trimethoxyphenyl)methanol | CAS Number 3840-31-1

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 3840-31-1

3840-31-1 | (3,4,5-Trimethoxyphenyl)methanol

CAS No: 3840-31-1 Catalog No: AG003IEY MDL No:MFCD00004639

Product Description

Catalog Number:

AG003IEY

Chemical Name:

(3,4,5-Trimethoxyphenyl)methanol

CAS Number:

3840-31-1

Molecular Formula:

C10H14O4

Molecular Weight:

198.2158

MDL Number:

MFCD00004639

IUPAC Name:

(3,4,5-trimethoxyphenyl)methanol

InChI:

InChI=1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3

InChI Key:

QPHLRCUCFDXGLY-UHFFFAOYSA-N

SMILES:

COc1cc(CO)cc(c1OC)OC

EC Number:

223-331-4

NSC Number:

53949

Properties

Complexity:

148

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.218g/mol

Monoisotopic Mass:

198.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
Atropa belladonna hairy roots: orchestration of concurrent oxidation and reduction reactions for biotransformation of carbonyl compounds.	Applied biochemistry and biotechnology 20120301
Revealing the metabonomic variation of rosemary extracts using 1H NMR spectroscopy and multivariate data analysis.	Journal of agricultural and food chemistry 20081112
Triphenyl(3,4,5-trimethoxy-benzyl)-phospho-nium chloride monohydrate.	Acta crystallographica. Section E, Structure reports online 20081001
Antimalarial agents from plants. III. Trichothecenes from Ficus fistulosa and Rhaphidophora decursiva.	Planta medica 20021201