Name: Name:1,2-Bis(3-methoxyphenyl)ethane-1,2-dione
Brand: Angene
SKU: AG003ID1
Rating: 90 (10 reviews)

1,2-Bis(3-methoxyphenyl)ethane-1,2-dione

CAS No.:

40101-17-5

Catalog Number:

AG003ID1

Molecular Formula:

C16H14O4

Molecular Weight:

270.2800

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Product Description

Catalog Number:

AG003ID1

Chemical Name:

1,2-Bis(3-methoxyphenyl)ethane-1,2-dione

CAS Number:

40101-17-5

Molecular Formula:

C16H14O4

Molecular Weight:

270.2800

MDL Number:

MFCD00038221

IUPAC Name:

1,2-bis(3-methoxyphenyl)ethane-1,2-dione

InChI:

InChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3

InChI Key:

PJGXOGKIVAJFTE-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)C(=O)C(=O)c1cccc(c1)OC

EC Number:

254-793-5

Properties

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.284g/mol

Monoisotopic Mass:

270.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis.	Bioorganic & medicinal chemistry 20090101
Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.	Journal of medicinal chemistry 20050421

Properties