Basic information
- CAS
38393-92-9- Standard SMILES
CC1(C)CC(O)c2ccccc21- InChIKey
JYSNWEPTBXFJSP-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 3,3-Dimethyl-1-indanol
- IUPAC
- 3,3-dimethyl-1,2-dihydroinden-1-ol
- English name
- 3,3-Dimethyl-1-indanol
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
3,3-Dimethyl-1-indanol38393-92-93,3-dimethylindan-1-ol3,3-Dimethyl-2,3-dihydro-1H-inden-1-ol1-Indanol, 3,3-dimethyl-1H-Inden-1-ol,2,3-dihydro-3,3-dimethyl-1H-Inden-1-ol, 2,3-dihydro-3,3-dimethyl-3,3-Dimethyl-indan-1-olSCHEMBL1508195DTXSID10959313MFCD00049158AKOS006271513
Show more names
1,1-Dimethylindan-3-ol
SY297314
Database identifiers
- CAS
38393-92-9- PubChem CID
- 38020
- DTXSID
DTXSID10959313- Nikkaji
- J130.715K
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- Boiling point
- 264.1 · 264.1±9.0 °C(Predicted)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- pka
- 14.26 · 14.26±0.40(Predicted)
Chemistry & industry
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
4 records
Compound notes
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