Acetic acid, anhydride with diethyl hydrogen phosphate
Basic information
- CAS
4526-20-9- Standard SMILES
CCOP(=O)(OCC)OC(C)=O- InChIKey
YZXXMUJJCMUTCG-UHFFFAOYSA-N- Molecular formula
- C6H13O5P
- Average molar mass
- 196.14 g/mol
- Monoisotopic mass
- 196.05006051
Names & identifiers
- Preferred name
- Acetic acid, anhydride with diethyl hydrogen phosphate
- IUPAC
- diethoxyphosphoryl acetate
Names & synonyms
4526-20-9RefChem:1075764Acetic acid, anhydride with diethyl hydrogen phosphateMethyl (diethoxyphosphinyl)acetateacetyl diethyl phosphatediethoxyphosphoryl acetateO,O-Diethyl-O-acetyl phosphateBRN 1777583ACETIC ACID, ANHYDRIDE with DIETHYL PHOSPHATE4-02-00-00442 (Beilstein Handbook Reference)SCHEMBL1237286DTXSID30963356
Show more names
YZXXMUJJCMUTCG-UHFFFAOYSA-N
Database identifiers
- CAS
4526-20-9- PubChem CID
- 18353
- DTXSID
DTXSID30963356- Nikkaji
- J1.725.741B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Related reactions
6 records
Compound notes
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