2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-hydroxy-1H-indene-1,3(2H)-dione
Basic information
- CAS
30511-21-8- Standard SMILES
CC1(C)CC(=O)C(C2(O)C(=O)c3ccccc3C2=O)C(=O)C1- InChIKey
XAXPKPCIXYIRIU-UHFFFAOYSA-N- Molecular formula
- C17H16O5
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.09977361
Names & identifiers
- Preferred name
- 2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-hydroxy-1H-indene-1,3(2H)-dione
- IUPAC
- 2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione
Names & synonyms
2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-hydroxy-1H-indene-1,3(2H)-dione30511-21-8CBDivE_0051302-hydroxy-2-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-1H-indene-1,3(2H)-dioneChemDiv2_000845Oprea1_025897DTXSID801155343HMS1371G092-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dioneMFCD00558739AKOS001652480CCG-109644
Show more names
AE-848/00233031AE-848/36048046AG-690/11084005AG-690/32529034
Database identifiers
- CAS
30511-21-8- PubChem CID
- 740422
- DTXSID
DTXSID801155343- Nikkaji
- J1.694.678H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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