2-(5-Methoxy-2-methylphenyl)-2-methylpropanoic acid
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Basic information
- CAS
29206-05-1- Standard SMILES
COc1ccc(C)c(C(C)(C)C(=O)O)c1- InChIKey
VBCYUSGQWAYHKR-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-(5-Methoxy-2-methylphenyl)-2-methylpropanoic acid
- IUPAC
- 2-(5-methoxy-2-methylphenyl)-2-methylpropanoic acid
- English name
- 2-(5-methoxy-2-methylphenyl)-2-methylpropanoic acid
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
2-(5-Methoxy-2-methylphenyl)-2-methylpropanoic acid29206-05-1SCHEMBL20249750Benzeneacetic acid, 5-methoxy-α,α,2-trimethyl-
Database identifiers
- CAS
29206-05-1- PubChem CID
- 83702281
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 328.4 · 328.4±30.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.14(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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