Basic information
- CAS
7334-48-7- Standard SMILES
CCOP(=O)(OCC)OC(=O)c1ccccc1- InChIKey
SQJKCHIKTUDHOQ-UHFFFAOYSA-N- Molecular formula
- C11H15O5P
- Average molar mass
- 258.21 g/mol
- Monoisotopic mass
- 258.06571057
Names & identifiers
- Preferred name
- Benzoic acid, anhydride with diethyl hydrogen phosphate
- IUPAC
- diethoxyphosphoryl benzoate
Names & synonyms
Benzoyl diethyl phosphateO,O-Diethyl O-benzoyl phosphateBenzoic acid, anhydride with diethyl phosphateBRN 2055366BENZOIC ACID, ANHYDRIDE with DIETHYL HYDROGEN PHOSPHATE7334-48-7DTXSID902235694-09-00-00948 (Beilstein Handbook Reference)RefChem:327707DTXCID70146060SCHEMBL9333329
Database identifiers
- CAS
7334-48-7- PubChem CID
- 23751
- DTXSID
DTXSID90223569- Nikkaji
- J1.725.735H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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