CAS 2421-28-5|5-(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carbonyl)-1,3-dihydro-2-benzofuran-1,3-dione|5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione|3,3',4,4'-BENZOPHENONE TETRACARBOXYLIC...

General Information

Structure

Molecular Formula

C₁₇H₆O₇

Molecular Mass

322.22534

Exact Mass

322.01135253

Charge

InChI

InChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H

InChIKey

VQVIHDPBMFABCQ-UHFFFAOYSA-N

Canonic Smiles

O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O

Isomeric Smiles

O=C1OC(=O)c2cc(ccc12)C(=O)c1ccc2C(=O)OC(=O)c2c1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.3312745

LogD (pH = 7.4)

2.3312745

Log P

2.3312745

Molar Refractivity

79.2475

Polarizability

29.589369

Polar Surface Area

103.81

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

5-(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carbonyl)-1,3-dihydro-2-benzofuran-1,3-dione

IUPAC Traditional name

5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione

Synonyms

3,3',4,4'-BENZOPHENONE TETRACARBOXYLIC DIANHYDRIDE3,3',4,4'-二苯甲酮四甲酸二酐Benzophenone-3,3′,4,4′-tetracarboxylic dianhydride4,4′-Carbonyldiphthalic anhydride3,3',4,4'-苯甲酮四羧酸酐3,3',4,4'-Benzophenonetetracarboxylic dianhydride4,4'-Carbonyldiphthalic anhydride3,3',4,4'-苯甲酮四羧酸二酐BTDA

Names and Identifiers

Registration numbers

CAS Number

2421-28-5

EC Number

219-348-1

PubChem SID

162097118248477862489215424855743

PubChem CID

75498

MDL Number

MFCD00005923