Basic information
- CAS
84174-65-2- Standard SMILES
Cc1cc(C)c2c(c1O)C(=O)CC2- InChIKey
NHMFOWVPDZOLFP-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 4,6-Dimethyl-7-hydroxy-1-indanone
- IUPAC
- 7-hydroxy-4,6-dimethyl-2,3-dihydroinden-1-one
- English name
- 4,6-Dimethyl-7-hydroxy-1-indanone
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
84174-65-27-hydroxy-4,6-dimethyl-2,3-dihydro-1h-inden-1-one4,6-DIMETHYL-7-HYDROXY-1-INDANONENSC47331SCHEMBL9579461DTXSID10286752NHMFOWVPDZOLFP-UHFFFAOYSA-NNSC-473312,3-dihydro-4,6dimethyl-7-hydroxy-1H-inden-1-one2,3-dihydro-4,6-dimethyl-7-hydroxy-1H-inden-1-one1H-Inden-1-one, 2,3-dihydro-7-hydroxy-4,6-dimethyl-
Database identifiers
- CAS
84174-65-2- PubChem CID
- 240718
- DTXSID
DTXSID10286752
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 117 · 117-119 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 357.1 · 357.1±42.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 10.94 · 10.94±0.20(Predicted)
Chemistry & industry
Suppliers3 total
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
7 records
Compound notes
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