4-Methylbenzoate
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Basic information
- CAS
5118-31-0- Standard SMILES
Cc1ccc(C(=O)[O-])cc1- InChIKey
LPNBBFKOUUSUDB-UHFFFAOYSA-M- Molecular formula
- C8H7O2-
- Average molar mass
- 135.14 g/mol
- Monoisotopic mass
- 135.04515304
Overview
P-toluate is a toluate that is the conjugate base of p-toluic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a p-toluic acid.
Names & identifiers
- Preferred name
- 4-Methylbenzoate
- IUPAC
- 4-methylbenzoate
- English name
- 4-Methylbenzoate
- Molecular weight
- 0
Names & synonyms
4-Methylbenzoatep-Toluate4-TOLUENECARBOXYLATECHEBI:28856p-methylbenzoatep-toluenecarboxylateRefChem:9126845118-31-0Benzoic acid, 4-methyl-, ion(1-)4-tolylic acidBDBM36135DTXSID00199201
Show more names
4-Methylbenzoic acid anion
LPNBBFKOUUSUDB-UHFFFAOYSA-MQ27103928
Database identifiers
- CAS
5118-31-0- PubChem CID
- 154342
- DTXSID
DTXSID00199201- ChEBI
CHEBI:28856- Nikkaji
- J209.457F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- -1
- Complexity
- 118
Physicochemical properties
- Boiling point
- 150 · 150-153 °C(Press: 0.9 Torr)
Chemistry & industry
Additional notes
DefinitionChEBI: P-toluate is a toluate that is the conjugate base of p-toluic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a p-toluic acid.
Related reactions
3 records
Compound notes
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