Basic information
- CAS
80887-78-1- Standard SMILES
COC(=O)C(C(=O)OC)c1ccc(O)cc1- InChIKey
LWIPABRAHRZWNP-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Names & identifiers
- Preferred name
- Dimethyl (4-hydroxyphenyl)malonate
- IUPAC
- dimethyl 2-(4-hydroxyphenyl)propanedioate
- English name
- dimethyl (4-hydroxyphenyl)malonate
- Molecular formula
- C11H12O5
- Molecular weight
- 224.21
Names & synonyms
Dimethyl (4-hydroxyphenyl)malonate80887-78-1EINECS 279-615-3dimethyl 4-hydroxyphenylmalonateSCHEMBL8406161DTXSID001001617Dimethyl 2-(4-hydroxyphenyl)malonateDimethyl (4-hydroxyphenyl)propanedioateNS00060617(4-Hydroxyphenyl)propanedioic acid dimethyl esterPropanedioic acid,2-(4-hydroxyphenyl)-, 1,3-dimethyl ester
Database identifiers
- CAS
80887-78-1- PubChem CID
- 3018973
- DTXSID
DTXSID001001617- EC Number
- 279-615-3
- Nikkaji
- J320.340I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 323.1 · 323.1±27.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 9.27 · 9.27±0.26(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
4 records
Compound notes
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