Basic information
- CAS
97692-56-3- Standard SMILES
CCOC(=O)Oc1ccc(C=O)cc1OC- InChIKey
BMQGIGJVGVCXGC-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Names & identifiers
- Preferred name
- Ethyl vanillyl carbonate
- IUPAC
- ethyl (4-formyl-2-methoxyphenyl) carbonate
- English name
- ethyl vanillyl carbonate
- Molecular formula
- C11H12O5
- Molecular weight
- 224.21
Names & synonyms
ethyl 4-formyl-2-methoxyphenyl carbonateEthyl vanillyl carbonateCarbonic acid, ethyl 4-formyl-2-methoxyphenyl esterSCHEMBL11003780DTXSID90913736ALBB-035028EINECS 307-708-1H481324-ethoxycarboxy-3-methoxybenzaldehydeCarbonic acid ethyl 4-formyl-2-methoxyphenyl ester
Database identifiers
- CAS
97692-56-3- PubChem CID
- 113447
- DTXSID
DTXSID90913736- EC Number
- 307-708-1
- Nikkaji
- J318.135I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 71 °C · 71 °C
- Boiling point
- 366 · 366.0±42.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- LogP
- 1.417 · 1.417 (est)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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