CAS 2785-98-0 | Benzoic acid, 2,5-dimethoxy- | CAS Number 2785-98-0

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2785-98-0 | Benzoic acid, 2,5-dimethoxy-

CAS No: 2785-98-0 Catalog No: AG002UXI MDL No:MFCD00002436

Product Description

Catalog Number:

AG002UXI

Chemical Name:

Benzoic acid, 2,5-dimethoxy-

CAS Number:

2785-98-0

Molecular Formula:

C9H10O4

Molecular Weight:

182.1733

MDL Number:

MFCD00002436

IUPAC Name:

2,5-dimethoxybenzoic acid

InChI:

InChI=1S/C9H10O4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)

InChI Key:

NYJBTJMNTNCTCP-UHFFFAOYSA-N

SMILES:

COc1ccc(c(c1)C(=O)O)OC

EC Number:

220-503-0

NSC Number:

44887

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.175g/mol

Monoisotopic Mass:

182.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
2,4-dimethoxybenzoic acid and 2,5-dimethoxybenzoic acid.	Acta crystallographica. Section C, Crystal structure communications 20040401
The total synthesis of the Galbulimima alkaloid GB 13.	Journal of the American Chemical Society 20030305
Synthesis of (+/-)-puraquinonic acid: an inducer of cell differentiation.	The Journal of organic chemistry 20010209