1,1,3-Trimethyl-3-phenyl-2,3-dihydro-1h-indene-5-carboxylic acid
Basic information
- CAS
7399-63-5- Standard SMILES
CC1(C)CC(C)(c2ccccc2)c2cc(C(=O)O)ccc21- InChIKey
PHXRHBNSMOSTPA-UHFFFAOYSA-N- Molecular formula
- C19H20O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.14632988
Names & identifiers
- Preferred name
- 1,1,3-Trimethyl-3-phenyl-2,3-dihydro-1h-indene-5-carboxylic acid
- IUPAC
- 1,1,3-trimethyl-3-phenyl-2H-indene-5-carboxylic acid
Names & synonyms
7399-63-51,1,3-trimethyl-3-phenyl-2,3-dihydro-1h-indene-5-carboxylic acidNSC54380DTXSID40288148NSC-54380
Database identifiers
- CAS
7399-63-5- PubChem CID
- 244018
- DTXSID
DTXSID40288148
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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