cis-1,2-Indandiol
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Basic information
- CAS
4647-42-1- Standard SMILES
O[C@@H]1c2ccccc2C[C@@H]1O- InChIKey
YKXXBEOXRPZVCC-DTWKUNHWSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
Names & identifiers
- Preferred name
- cis-1,2-Indandiol
- IUPAC
- (1R,2S)-2,3-dihydro-1H-indene-1,2-diol
- English name
- cis-1,2-Indane diol
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
cis-1,2-Indandiol4647-42-1CIS-1,2-INDANEDIOL(1R,2S)-2,3-dihydro-1H-indene-1,2-diol1,2-Indandiol, cis-1H-Indene-1,2-diol, 2,3-dihydro-, cis-Cis-1,2-indane diolrel-(1R,2S)-2,3-Dihydro-1H-indene-1,2-diolcis-1,2-in-dandiolcis-2,3-Dihydro-1H-indene-1,2-diolcis-Indan-1,2-diolSCHEMBL783223
Show more names
Indane-1,2-diolCis-1,2-indinediolCIS-INDANE-1,2-DIOLcis-(1S,2R)-indanediol(1R,2S)-indane-1,2-diol
Indan, 1,2-dihydroxy-, cis-DB-318916
Database identifiers
- CAS
4647-42-1- PubChem CID
- 20758
- Nikkaji
- J513.005K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 107.5 · 107.5-108 °C(Solv: benzene (71-43-2))
- Boiling point
- 288.5 · 288.5±40.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 13.7 · 13.70±0.40(Predicted)
Related reactions
12 records
Compound notes
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