Basic information
- CAS
695-90-9- Standard SMILES
C1CCC2=C(C1)CCC2- InChIKey
CVKGBEGKZIIWRA-UHFFFAOYSA-N- Molecular formula
- C9H14
- Average molar mass
- 122.21 g/mol
- Monoisotopic mass
- 122.10955045
Names & identifiers
- Preferred name
- 2,3,4,5,6,7-Hexahydro-1H-indene
- IUPAC
- 2,3,4,5,6,7-hexahydro-1H-indene
- English name
- 4,5,6,7-tetrahydroindan
- Molecular formula
- C9H14
- Molecular weight
- 122.21
Names & synonyms
2,3,4,5,6,7-Hexahydro-1H-indene695-90-9DTXSID50334928RefChem:1059180DTXCID302860171H-Indene, 2,3,4,5,6,7-hexahydro-4,5,6,7-TETRAHYDROINDANSCHEMBL615138SCHEMBL615139SCHEMBL1495194SCHEMBL6167449SCHEMBL6167451
Show more names
SCHEMBL6168048SCHEMBL6168053CVKGBEGKZIIWRA-UHFFFAOYSA-N2,3,4,5,6,7-Hexahydro-1H-indene #InChI=1/C9H14/c1-2-5-9-7-3-6-8(9)4-1/h1-7H
Database identifiers
- CAS
695-90-9- PubChem CID
- 522352
- DTXSID
DTXSID50334928- Nikkaji
- J1.019.934D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 168 · 168-169 °C
- Density
- 0.9032 g/cm3 · 0.9032 g/cm3
- RIDADR
- 1993 · 1993
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1993
- hazard_class
- 3.2
- packing_group
- III
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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