1H-Indene-2-butanoic acid, ethyl ester
Basic information
- CAS
61601-31-8- Standard SMILES
CCOC(=O)CCCC1=Cc2ccccc2C1- InChIKey
ZNTGPEAXDYJSLF-UHFFFAOYSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Names & identifiers
- Preferred name
- 1H-Indene-2-butanoic acid, ethyl ester
- IUPAC
- ethyl 4-(1H-inden-2-yl)butanoate
Names & synonyms
1H-Indene-2-butanoic acid, ethyl ester61601-31-8ETHYL 4-(1H-INDEN-2-YL)BUTANOATEDTXSID90485382
Database identifiers
- CAS
61601-31-8- PubChem CID
- 12294841
- DTXSID
DTXSID90485382
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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