8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid

HCID 417404

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22439-48-1
Standard SMILES: O=C(O)c1ccc2oc3ccccc3c2c1
InChIKey: UGKPZVGCVIWBNX-UHFFFAOYSA-N
Molecular formula: C13H8O3
Average molar mass: 212.2 g/mol
Monoisotopic mass: 212.04734412

Names & identifiers

Preferred name: 8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid
IUPAC: dibenzofuran-2-carboxylic acid
English name: 2-dibenzofurancarboxylic acid
Molecular formula: C13H8O3
Molecular weight: 212.2

Names & synonyms

8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acidRefChem:548367968-218-72-Dibenzofurancarboxylic acid22439-48-1dibenzofuran-2-carboxylic aciddibenzo[b,d]furan-2-carboxylic acidMFCD001598922-DibenzofurancarboxylicAcidNCIOpen2_005671SCHEMBL1222307

Show more names

DTXSID20329104Dibenzo[b,d]furan-2-carboxylicacidALBB-026471Benzo[b]benzofuran-2-carboxylic acidSTK680673AKOS003296992NCGC00338674-01AS-37819

Database identifiers

CAS: 22439-48-1
PubChem CID: 417404
DTXSID: DTXSID20329104
EC Number: 968-218-7
Nikkaji: J1.998.521K、J83.186G

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 289

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.