Name: Name:3-Hydroxy-4,5-dimethoxybenzoic acid
Brand: Angene
SKU: AG003JJK
Rating: 90 (10 reviews)

3-Hydroxy-4,5-dimethoxybenzoic acid

CAS No.:

1916-08-1

Catalog Number:

AG003JJK

Molecular Formula:

C9H10O5

Molecular Weight:

198.1727

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Product Description

Catalog Number:

AG003JJK

Chemical Name:

3-Hydroxy-4,5-dimethoxybenzoic acid

CAS Number:

1916-08-1

Molecular Formula:

C9H10O5

Molecular Weight:

198.1727

MDL Number:

MFCD00002508

IUPAC Name:

3-hydroxy-4,5-dimethoxybenzoic acid

InChI:

InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)

InChI Key:

WFIBQVFJXGQICQ-UHFFFAOYSA-N

SMILES:

COc1cc(cc(c1OC)O)C(=O)O

EC Number:

217-630-9

UNII:

J6FH4N7RMW

NSC Number:

19885

Properties

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.174g/mol

Monoisotopic Mass:

198.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Biotransformation of gallic acid by Beauveria sulfurescens ATCC 7159.	Applied microbiology and biotechnology 20070301
Proton dissociation is important to understanding structure-activity relationships of gallic acid antioxidants.	Bioorganic & medicinal chemistry letters 20060801
Benzoic acid derivatives in a hypogastrurid collembolan: temperature-dependent formation and biological significance as deterrents.	Journal of chemical ecology 20040801

Properties