1-Chloro-3-(2-propynyloxy)-2-propanol
Basic information
- CAS
18180-29-5- Standard SMILES
C#CCOCC(O)CCl- InChIKey
MMBMNIIFGNSOFO-UHFFFAOYSA-N- Molecular formula
- C6H9ClO2
- Average molar mass
- 148.59 g/mol
- Monoisotopic mass
- 148.0291072
Overview
structure
Names & identifiers
- Preferred name
- 1-Chloro-3-(2-propynyloxy)-2-propanol
- IUPAC
- 1-chloro-3-prop-2-ynoxypropan-2-ol
- English name
- 1-Chloro-3-(2-propynyloxy)-2-propanol
- Molecular formula
- C6H9ClO2
- Molecular weight
- 148.59
Names & synonyms
18180-29-51-Chloro-3-(2-propynyloxy)-2-propanol2-Propanol, 1-chloro-3-(2-propynyloxy)-NSC-1277708A8FE2F5EJRefChem:753761-chloro-3-prop-2-ynoxypropan-2-ol1-CHLORO-3-(PROP-2-YN-1-YLOXY)PROPAN-2-OLNSC127770NSC 127770AKOS0063820001-Chloro-3-(2-propyn-1-yloxy)-2-propanol
Show more names
2-Propanol, 1-chloro-3-(2-propyn-1-yloxy)-
Database identifiers
- CAS
18180-29-5- PubChem CID
- 98426
- UNII
- 8A8FE2F5EJ
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 82 °C · 82 °C(Press: 0.2 Torr)
- Density
- 1.1772 g/cm3 · 1.1772 g/cm3
- pka
- 13.07 · 13.07±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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