Basic information
- CAS
1014-52-4- Standard SMILES
Cc1cc(O)c(C(C)C)cc1C(=O)[O-].[Na+]- InChIKey
NEWGTAXNYDMBSR-UHFFFAOYSA-M- Molecular formula
- C11H13NaO3
- Average molar mass
- 216.21 g/mol
- Monoisotopic mass
- 216.07623855
Names & identifiers
- Preferred name
- p-cymene-2-carboxylic acid, 5-hydroxy-, monosodium salt
- IUPAC
- sodium 4-hydroxy-2-methyl-5-propan-2-ylbenzoate
- English name
- 4-Hydroxy-5-isopropyl-2-methylbenzoic acid sodium salt
- Molecular weight
- 0
Names & synonyms
Sodium p-thymotatep-Thymotic acid, sodium salt1014-52-4p-Thymotic acid, monosodium saltp-CYMENE-2-CARBOXYLIC ACID, 5-HYDROXY-, MONOSODIUM SALTDTXSID20143903RefChem:367668DTXCID30663944-Hydroxy-5-isopropyl-2-methylbenzoic acid sodium saltsodium;4-hydroxy-2-methyl-5-propan-2-ylbenzoateSCHEMBL29478010Sodium 4-hydroxy-2-methyl-5-(propan-2-yl)benzoate
Database identifiers
- CAS
1014-52-4- PubChem CID
- 23691981
- DTXSID
DTXSID20143903
Properties
Computed structural properties
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 162 °C · 162 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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