Basic information
- CAS
68548-99-2- Standard SMILES
O=C(c1ccccc1)c1cc2c(cc1O)C(C(=O)O)CC2- InChIKey
XMTKXTUIUKKGIL-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Overview
Oxindanac is a member of benzophenones.
Names & identifiers
- Preferred name
- Oxindanac
- IUPAC
- 5-benzoyl-6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
- English name
- Oxindanac
- Molecular formula
- C17H14O4
- Molecular weight
- 282.29
Names & synonyms
Oxindanac68548-99-2OxindanacoOxindazacOxindanacumCGP-6258ZY400R3BNTRefChem:9283675-benzoyl-2,3-dihydro-6-hydroxy-1H-indene-1-carboxylic acid5-benzoyl-6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acidOxindanac [INN]Oxindanac, (+)-
Show more names
Oxindanac, (-)-PS75787KJI0K7U57MH88(+-)-5-Benzoyl-6-hydroxy-1-indancarboxylic acidOxindanaco [Spanish]1H-Indene-1-carboxylic acid, 5-benzoyl-2,3-dihydro-6-hydroxy-, (+)-1H-Indene-1-carboxylic acid, 5-benzoyl-2,3-dihydro-6-hydroxy-, (-)-99910-67-5
Database identifiers
- CAS
68548-99-2、99910-67-5、99910-68-6- PubChem CID
- 68879
- DTXSID
DTXSID60867671- ChEMBL
CHEMBL2107505- ChEBI
CHEBI:230811- UNII
- 0K7U57MH88、PS75787KJI、ZY400R3BNT
- Nikkaji
- J134.081F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 499.1 · 499.1±45.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 3.92 · 3.92±0.20(Predicted)
- FDA UNII
- 400 R3BNT · ZY400R3BNT
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
10 records
Compound notes
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