4,4'-Biphthalic anhydride

CAT: 0926-FB62603-01Size: 1 KgDry Ice: NoHazardous: No

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CAT#:0926-FB62603-01Size:1 Kg

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CAS Number

2420-87-3

Synonyms

Diphenyl-3,3',4,4'-tetracarboxylic Dianhydride

MDL Number

MFCD00039140

Smiles

C1=CC2=C (C=C1C3=CC4=C (C=C3) C (=O) OC4=O) C (=O) OC2=O

Molecular Formula

C16H6O6

Molecular Weight

294.22 g/mol

Controlled

Chemical Information

5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone

CAS Number	2420-87-3
PubChem CID	75494
IUPAC Name	5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
Molecular Formula	C16H6O6
Molecular Weight	294.21
XLogP	2.3
Topological Polar Surface Area	86.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	517

SMILES

C1=CC2=C(C=C1C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O

InChI

InChI=1S/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H

InChIKey

WKDNYTOXBCRNPV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2420-87-3

CID: 75494

Formula: C16H6O6

MW: 294.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.21
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	294.01643791
Monoisotopic Mass	294.01643791
Topological Polar Surface Area	86.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	517
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FO62671-01	4,4'-Oxydiphthalic anhydride
AGA62032-01	4-Acetoxybutyric anhydride
AAA11845-01	4-Chlorophthalic anhydride
FM35899-01	4-Methoxybenzoic anhydride
FN35875-01	4-Nitrobenzoic anhydride
FM35883-01	4-Methylpentanoic anhydride
FF02590	4-Fluorophthalic anhydride
FA175052-01	4- (Acetylamino) phthalic anhydride
XDA92801-01	4- (Trifluoromethyl) isatoic anhydride
FO62673-01	3,4'-Oxydiphthalic Anhydride

Catalog	Name
HY-W008721-01	4,4'-Biphthalic anhydride
OR41022-01	3,4'-Biphthalic anhydride
sc-336536	4,4-Oxydiphthalic anhydride
1823-59-2-01	4,4'-Oxydiphthalic anhydride
TYD-00313-01	4-Fluorophthalic anhydride
285492-01	4-Nitrobenzoic anhydride
RG-C081251-01	4-Chlorobutanoic Anhydride
MBS6106314-01	4-Nitrophthalic Anhydride
abx184608-01	4-Chlorophthalic anhydride
sc-473720	4-Phenylethynylphthalic Anhydride