Basic information
- CAS
2385-74-2- Standard SMILES
CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O- InChIKey
MJCJFUJXVGIUOD-UHFFFAOYSA-N- Molecular formula
- C9H14O6
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.07903816
Names & identifiers
- Preferred name
- (-)-2,3-Dimethylbutane-1,2,3-tricarboxylic acid
- IUPAC
- 2,3-dimethylbutane-1,2,3-tricarboxylic acid
- English name
- (-)-2,3-dimethylbutane-1,2,3-tricarboxylic acid
- Molecular formula
- C9H14O6
- Molecular weight
- 218.20386
Names & synonyms
2385-74-2(-)-2,3-Dimethylbutane-1,2,3-tricarboxylic acid2,3-dimethylbutane-1,2,3-tricarboxylic acid(-)-2,3-Dimethyl-1,2,3-butanetricarboxylic acidCamphoronsaure2,3-dimethyl-1,2,3-butanetricarboxylic acidEINECS 219-192-4SCHEMBL233792DTXSID10875822MJCJFUJXVGIUOD-UHFFFAOYSA-NDTXSID201019894508-34-9
Show more names
l-Camohoronic acid
NS000501341,2,3-Butanetricarboxylic acid, 2,3-dimethyl-AE-562/12245652
Database identifiers
- CAS
2385-74-2、508-34-9- PubChem CID
- 102804
- DTXSID
DTXSID10875822- EC Number
- 219-192-4
- Nikkaji
- J6.237E、J95.918I
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Boiling point
- 318.88 °C · 318.88°C (rough estimate)
- Density
- 1.2945 · 1.2945 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 3.26 · 3.26±0.15(Predicted)
- Water Solubility
- 111 g/L · 111g/L(16 ºC)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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