Dimethyl 3-methylphenyl phosphate
Basic information
- CAS
6161-79-1- Standard SMILES
COP(=O)(OC)Oc1cccc(C)c1- InChIKey
BQGIVCKQWCUOME-UHFFFAOYSA-N- Molecular formula
- C9H13O4P
- Average molar mass
- 216.17 g/mol
- Monoisotopic mass
- 216.05514589
Names & identifiers
- Preferred name
- Dimethyl 3-methylphenyl phosphate
- IUPAC
- dimethyl (3-methylphenyl) phosphate
Names & synonyms
Dimethyl 3-methylphenyl phosphate6161-79-1DTXSID10335577RefChem:338580DTXCID60286666BQGIVCKQWCUOME-UHFFFAOYSA-NSCHEMBL31169486
Database identifiers
- CAS
6161-79-1- PubChem CID
- 526170
- DTXSID
DTXSID10335577- Nikkaji
- J371.869G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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