Basic information
- Standard SMILES
O=C(O)C(O)C(Cl)(Cl)Cl- InChIKey
PBXLMODGBAXKQR-UHFFFAOYSA-N- Molecular formula
- C3H3Cl3O3
- Average molar mass
- 193.41 g/mol
- Monoisotopic mass
- 191.914777
Names & identifiers
- Preferred name
- 3,3,3-Trichloro-2-hydroxypropanoic acid
- IUPAC
- 3,3,3-trichloro-2-hydroxypropanoic acid
- English name
- 3,3,3-trichlorolactic acid
- Molecular formula
- C3H3Cl3O3
- Molecular weight
- 193.41
Names & synonyms
3,3,3-trichloro-2-hydroxypropanoic acid3,3,3-Trichlorolactic acid599-01-9TrichlormilchsaureEINECS 209-962-8NSC404112SCHEMBL8075235DTXSID40870663PBXLMODGBAXKQR-UHFFFAOYSA-NAKOS006273002NSC 404112NSC-404112
Show more names
3,3,3-Trichloro-2-hydroxypropionic acid3,3,3-trichloro-2-hydroxy-propanoic acidPropanoic acid, 3,3,3-trichloro-2-hydroxy-
NS00043874
Database identifiers
- CAS
599-01-9- PubChem CID
- 69028
- DTXSID
DTXSID40870663- EC Number
- 209-962-8
- Nikkaji
- J135.773E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 125 °C · 125°C
- Boiling point
- 277.3 °C · 277.3°C (rough estimate)
- Density
- 1.8748 · 1.8748 (rough estimate)
- refractive index
- 1.4521 · 1.4521 (estimate)
- pka
- 1 · pK1:2.34 (25°C)
- Water Solubility
- 438 g/L · 438g/L(25 ºC)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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