[1-(2-Methylphenyl)ethenyl]phosphonic acid
Basic information
- CAS
86812-21-7- Standard SMILES
C=C(c1ccccc1C)P(=O)(O)O- InChIKey
HWYPDXFWZOOHKL-UHFFFAOYSA-N- Molecular formula
- C9H11O3P
- Average molar mass
- 198.16 g/mol
- Monoisotopic mass
- 198.04458121
Names & identifiers
- Preferred name
- [1-(2-Methylphenyl)ethenyl]phosphonic acid
- IUPAC
- 1-(2-methylphenyl)ethenylphosphonic acid
- English name
- [1-(methylphenyl)vinyl]phosphonic acid
- Molecular formula
- C9H11O3P
- Molecular weight
- 198.155601
Names & synonyms
86812-21-7SCHEMBL28415722HWYPDXFWZOOHKL-UHFFFAOYSA-NDTXSID001007108[1-(2-methylphenyl)ethenyl]phosphonic acidNS00066174[1-(2-Methylphenyl)ethen-1-yl]phosphonic acidEinecs 289-282-6[1-(methylphenyl)vinyl]phosphonic acid
Database identifiers
- CAS
86812-21-7- PubChem CID
- 3021132
- DTXSID
DTXSID001007108- EC Number
- 289-282-6
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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