Basic information
- CAS
6303-66-8- Standard SMILES
O=C(O)C1C2CCC(CC2)C1C(=O)O- InChIKey
DOYWWWWTUGGBQS-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]octane-2,3-dicarboxylic acid
- IUPAC
- bicyclo[2.2.2]octane-2,3-dicarboxylic acid
- English name
- bicyclo[2.2.2]octane-7,8-dicarboxylic acid
- Molecular formula
- C10H14O4
- Molecular weight
- 198.22
Names & synonyms
bicyclo[2.2.2]octane-2,3-dicarboxylic acid6303-66-86696-68-0MLS002608478Bicyclo[2.2.2]octane-2,3-dicarboxylicacid, (2R,3R)-rel-trans-bicyclo[2.2.2]octane-2,3-dicarboxylic acidNSC42843Oprea1_062914SCHEMBL1664043CHEMBL1729119DTXSID00285799HMS1661P14
Show more names
bicyclo[2.2.2]octane-7,8-dicarboxylic acidBicyclo[2.2.2]octane-2,3-dicarboxylic acid, (2R,3R)-rel-
HMS3088M11MFCD00101573NSC-42843NSC191845NSC-191845SB74198SMR001527226
Database identifiers
- CAS
6303-66-8、6696-68-0- PubChem CID
- 238488
- DTXSID
DTXSID00285799- ChEMBL
CHEMBL1729119
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 234 · 234-235 °C(Solvent: Methanol; Water (1:1))
- Boiling point
- 414.282 · 414.282±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.125 · 4.125±0.40(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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