Phenolate
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Basic information
- CAS
3229-70-7- Standard SMILES
[O-]c1ccccc1- InChIKey
ISWSIDIOOBJBQZ-UHFFFAOYSA-M- Molecular formula
- C6H5O-
- Average molar mass
- 93.1 g/mol
- Monoisotopic mass
- 93.03403978
Names & identifiers
- Preferred name
- Phenolate
- IUPAC
- phenoxide
- English name
- phenoxy radical
- Molecular formula
- C6H5O
- Molecular weight
- 0
Names & synonyms
phenolate3229-70-7CHEBI:50526RefChem:1094953phenoxidephenoxide anionPhenol, ion(1-) (VAN)DTXSID70954086NCGC00249189-01Q27122100Phenol ionPhenoxy ion
Show more names
phenoxy radicalPhenoxyl radical
Database identifiers
- CAS
3229-70-7- PubChem CID
- 119047
- DTXSID
DTXSID70954086- ChEBI
CHEBI:50526- Nikkaji
- J1.968.978F、J312.417G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- -1
- Complexity
- 46
Physicochemical properties
- Boiling point
- 82 °C · 82 °C(Press: 2 Torr)
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A phenolate anion that is the conjugate base of phenol obtained by deprotonation of the OH group.
Related reactions
179 records
Compound notes
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