Basic information
- CAS
88606-58-0- Standard SMILES
CCC(=O)O.OCC(Cl)CCl- InChIKey
DPJSLUIOAOXKDF-UHFFFAOYSA-N- Molecular formula
- C6H12Cl2O3
- Average molar mass
- 203.06 g/mol
- Monoisotopic mass
- 202.0163496
Names & identifiers
- Preferred name
- 2,3-Dichloropropan-1-ol;propanoic acid
- IUPAC
- 2,3-dichloropropan-1-ol;propanoic acid
Names & synonyms
88606-58-0SCHEMBL15519199DTXSID90749133Propanoic acid--2,3-dichloropropan-1-ol (1/1)
Database identifiers
- CAS
88606-58-0- PubChem CID
- 71319084
- DTXSID
DTXSID90749133
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 72.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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