1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-
Basic information
- CAS
890-44-8- Standard SMILES
O=C1c2ccccc2C(=O)C1Cc1ccccc1- InChIKey
KVHFJEUMWZBAMP-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-
- IUPAC
- 2-benzylindene-1,3-dione
Names & synonyms
1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-890-44-8DTXSID30276231RefChem:238522DTXCID602275592-benzyl-1,3-indandione1,3-Indandione, 2-benzyl-SCHEMBL90551482-Benzyl-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
890-44-8- PubChem CID
- 120645
- DTXSID
DTXSID30276231- Nikkaji
- J2.267.711J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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