Basic information
- CAS
26408-72-0- Standard SMILES
CC(=O)CC(=O)Oc1ccc(O)cc1- InChIKey
SRPYDDUAFWZUND-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 4-Hydroxyphenyl 3-oxobutanoate
- IUPAC
- (4-hydroxyphenyl) 3-oxobutanoate
- English name
- 4-Hydroxyphenyl acetoacetate
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
26408-72-04-hydroxyphenyl 3-oxobutanoateDTXSID10395095RefChem:293427DTXCID103459544-Hydroxyphenyl acetoacetate(4-hydroxyphenyl) 3-oxobutanoateAKOS006275046ST090357SR-01000508375SR-01000508375-13-oxo-
Show more names
SRPYDDUAFWZUND-UHFFFAOYSA-NButanoic acid, 3-oxo-, 4-hydroxyphenyl ester
Database identifiers
- CAS
26408-72-0- PubChem CID
- 3690584
- DTXSID
DTXSID10395095
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 98 °C · 98 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
- Boiling point
- 359 · 359.0±27.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 9.33 · 9.33±0.15(Predicted)
Chemistry & industry
Suppliers1 total
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…