CAS 482-05-3|[1,1'-Biphenyl]-2,2'-dicarboxylic acid|diphenic acid|2-(2-carboxyphenyl)benzoic acid|2,2'-DICARBOXY DIPHENYL|Diphenic acid|Biphenyl-2,2′-dicarboxylic acid|2,2′-联苯二甲酸|联苯基-2,2′-...

General Information

Structure

Molecular Formula

C₁₄H₁₀O₄

Molecular Mass

242.2268

Exact Mass

242.0579088

Charge

InChI

InChI=1S/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChIKey

GWZCCUDJHOGOSO-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1ccccc1c1ccccc1C(=O)O

Isomeric Smiles

O=C(c1ccccc1c1ccccc1C(=O)O)O

Calculated Properties

JChem

LogD (pH = 7.4)

-3.70

LogD (pH = 5.5)

-0.76

Log P

2.94

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

3.32

Polar Surface Area

74.60

Polarizability

23.69

Molar Refractivity

65.71

LOG S

-4.03

Data Source

Names and Identifiers

Synonyms

[1,1'-Biphenyl]-2,2'-dicarboxylic acid2,2'-DICARBOXY DIPHENYLDiphenic acidBiphenyl-2,2′-dicarboxylic acid2,2′-联苯二甲酸联苯基-2,2′-二羧酸2,2'-联苯二甲酸2,2'-Biphenyldicarboxylic aciddiphenic acidbiphenyl-2,2'-dicarboxylic acid2,2'-diphenic aciddiphenic acid2,2'-bibenzoic acid2,2'-biphenyldicarboxylic acid2,2'-dicarboxybiphenyl

IUPAC Traditional name

diphenic acid

IUPAC name

2-(2-carboxyphenyl)benzoic acid [1,1'-biphenyl]-2,2'-dicarboxylic acid

Names and Identifiers

Registration numbers

CAS Number

482-05-3

PubChem SID

24866720248477391620727068146890

Beilstein Number

2053625