Basic information
- Standard SMILES
COC(=O)C=CCC1(O)CCc2ccccc21- InChIKey
DRNPDJFBLZLRAL-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- Methyl 4-(1-hydroxy-2,3-dihydroinden-1-yl)but-2-enoate
- IUPAC
- methyl 4-(1-hydroxy-2,3-dihydroinden-1-yl)but-2-enoate
Names & synonyms
SCHEMBL7943911
Database identifiers
- PubChem CID
- 53775375
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
1 records
Compound notes
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