Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1cccc(C=CC(=O)O)c1- InChIKey
NEDJDTCPZUUMPC-UHFFFAOYSA-N- Molecular formula
- C14H16O4
- Average molar mass
- 248.27 g/mol
Names & identifiers
- Preferred name
- 3-[3-[(2-Methylpropan-2-yl)oxycarbonyl]phenyl]prop-2-enoic acid
- IUPAC
- 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]prop-2-enoic acid
Names & synonyms
SCHEMBL6925031
Database identifiers
- PubChem CID
- 69939271
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Related reactions
2 records
Compound notes
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