(R)-2,4,6-Trimethyl-3-oxo-2,3-Dihydro-1H-indene-5-acetic acid
Basic information
- CAS
52528-78-6- Standard SMILES
Cc1cc2c(c(C)c1CC(=O)O)C(=O)[C@H](C)C2- InChIKey
UYEZJDNVWNIIKS-MRVPVSSYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Overview
Pterosin E is a member of indanones.
Names & identifiers
- Preferred name
- (R)-2,4,6-Trimethyl-3-oxo-2,3-Dihydro-1H-indene-5-acetic acid
- IUPAC
- 2-[(2R)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]acetic acid
Names & synonyms
Pterosin E52528-78-6DTXSID70966962CHEBI:192053(2R)-2,3-dihydro-2,4,6-trimethyl-3-oxo-1h-indene-5-acetic acid(R)-2,4,6-Trimethyl-3-oxo-2,3-Dihydro-1H-indene-5-acetic acid2-[(2R)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]acetic acid1H-Indene-5-acetic acid, 2,3-dihydro-2,4,6-trimethyl-3-oxo-, (R)-DB-309747(2,4,6-Trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)acetic acid[(2R)-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]acetic acid
Database identifiers
- CAS
52528-78-6- PubChem CID
- 148588
- DTXSID
DTXSID70966962- ChEBI
CHEBI:192053- Nikkaji
- J9.941D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
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Related reactions
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Compound notes
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