CAS 1158-27-6 | Benzene, 1,1'-methylenebis[3,4-dimethoxy- | CAS Number 1158-27-6

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1158-27-6 | Benzene, 1,1'-methylenebis[3,4-dimethoxy-

CAS No: 1158-27-6 Catalog No: AG000GWB MDL No:

Product Description

Catalog Number:

AG000GWB

Chemical Name:

Benzene, 1,1'-methylenebis[3,4-dimethoxy-

CAS Number:

1158-27-6

Molecular Formula:

C17H20O4

Molecular Weight:

288.3383

IUPAC Name:

4-[(3,4-dimethoxyphenyl)methyl]-1,2-dimethoxybenzene

InChI:

InChI=1S/C17H20O4/c1-18-14-7-5-12(10-16(14)20-3)9-13-6-8-15(19-2)17(11-13)21-4/h5-8,10-11H,9H2,1-4H3

InChI Key:

XEGVJXFCBVQOPB-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)Cc1ccc(c(c1)OC)OC

NSC Number:

139632

Properties

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.343g/mol

Monoisotopic Mass:

288.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Synthesis and carbonic anhydrase inhibitory properties of novel bromophenols and their derivatives including natural products: vidalol B.	European journal of medicinal chemistry 20120801
Bromophenols as inhibitors of protein tyrosine phosphatase 1B with antidiabetic properties.	Bioorganic & medicinal chemistry letters 20120415