Basic information
- CAS
51453-68-0- Standard SMILES
OC(CCl)COCC#Cc1ccccc1- InChIKey
GYSFZWCMDVTFEL-UHFFFAOYSA-N- Molecular formula
- C12H13ClO2
- Average molar mass
- 224.68 g/mol
- Monoisotopic mass
- 224.0604073
Names & identifiers
- Preferred name
- 1-Chloro-3-[(3-phenylprop-2-yn-1-yl)oxy]propan-2-ol
- IUPAC
- 1-chloro-3-(3-phenylprop-2-ynoxy)propan-2-ol
Names & synonyms
51453-68-01-chloro-3-[(3-phenylprop-2-yn-1-yl)oxy]propan-2-olNSC153428DTXSID40302777NSC-153428
Database identifiers
- CAS
51453-68-0- PubChem CID
- 290307
- DTXSID
DTXSID40302777
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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