Basic information
- CAS
4957-24-8- Standard SMILES
CC1(C)CCc2ccc(O)cc21- InChIKey
PAIGLICXCCZBCJ-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 3,3-Dimethylindan-5-ol
- IUPAC
- 3,3-dimethyl-1,2-dihydroinden-5-ol
- English name
- 3,3-dimethylindan-5-ol
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
3,3-Dimethylindan-5-ol3,3-dimethyl-2,3-dihydro-1H-inden-5-olJB3MDU4SL7EINECS 225-600-12,3-Dihydro-3,3-dimethyl-1H-inden-5-olDTXSID101978541H-Inden-5-ol, 2,3-dihydro-3,3-dimethyl-RefChem:90818DTXCID70120345225-600-14957-24-8UNII-JB3MDU4SL7
Show more names
SCHEMBL42369733,3-dimethyl-5-hydroxy-indaneNS00031912
Database identifiers
- CAS
4957-24-8- PubChem CID
- 78660
- DTXSID
DTXSID10197854- UNII
- JB3MDU4SL7
- EC Number
- 225-600-1
- Nikkaji
- J203.206F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 85 · 85-86 °C
- Boiling point
- 260.7 · 260.7±29.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 10.38 · 10.38±0.40(Predicted)
- FDA UNII
- 3 MDU4SL7 · JB3MDU4SL7
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
4 records
Compound notes
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