Basic information
- CAS
78150-03-5- Standard SMILES
COC(=O)C1Cc2ccc3ccccc3c2C1- InChIKey
SYASRIPSPURSFG-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Overview
structure
Names & identifiers
- Preferred name
- Methyl-4,5-benzindan-2-carboxylate
- IUPAC
- methyl 2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxylate
Names & synonyms
78150-03-5Methyl-4,5-benzindan-2-carboxylateRefChem:158093Methyl 2,3-dihydro-1H-benz(e)indene-2-carboxylatemethyl 2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxylateDTXSID409994041H-Benz(e)indene-2-carboxylic acid, 2,3-dihydro-, methyl ester
Database identifiers
- CAS
78150-03-5- PubChem CID
- 187751
- DTXSID
DTXSID40999404
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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