Basic information
- CAS
91165-26-3- Standard SMILES
CC(=O)CC1(C)C(=O)c2ccccc2C1=O- InChIKey
SGDHEGYYHBHDKC-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-
- IUPAC
- 2-methyl-2-(2-oxopropyl)indene-1,3-dione
Names & synonyms
1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-91165-26-32-methyl-2-(2-oxopropyl)-1H-indene-1,3(2H)-dioneDTXSID30348760RefChem:238550DTXCID60299832InChI=1/C13H12O3/c1-8(14)7-13(2)11(15)9-5-3-4-6-10(9)12(13)16/h3-6H,7H2,1-2H
Database identifiers
- CAS
91165-26-3- PubChem CID
- 640562
- DTXSID
DTXSID30348760
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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