1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)
Basic information
- CAS
53845-36-6- Standard SMILES
c1ccc(C23COP(OC2)OC3)cc1- InChIKey
DRYSMEBNVTYVKN-UHFFFAOYSA-N- Molecular formula
- C10H11O3P
- Average molar mass
- 210.17 g/mol
- Monoisotopic mass
- 210.04458121
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)
- IUPAC
- 4-phenyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Names & synonyms
BRN 187947553845-36-64-Phenyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)4-phenyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-phenyl-DTXSID702021152-(Hydroxymethyl)-2-phenyl-1,3-propanediol, cyclic phosphite (1:1)RefChem:219618DTXCID70124606SCHEMBL10597421
Database identifiers
- CAS
53845-36-6- PubChem CID
- 198320
- DTXSID
DTXSID70202115
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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