3-Acetoxynortricyclene
Basic information
- CAS
6555-48-2- Standard SMILES
CC(=O)OC1C2CC3C(C2)C31- InChIKey
MIEOKFNJNHVJND-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 3-Acetoxynortricyclene
- IUPAC
- 3-tricyclo[2.2.1.02,6]heptanyl acetate
- English name
- 3-Acetoxytricyclo[2.2.1.02,6]heptane
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
3-Acetoxynortricyclene3-Nortricyclyl acetateNortricyclane acetate6555-48-2DTXSID703303213-Acetoxytricyclo[2.2.1.0(2,6)]heptaneTricyclo[2.2.1.0(2,6)]heptan-3-ol, acetate3-Acetoxytricyclo(2.2.1.0(2,6))heptaneTricyclo(2.2.1.0(2,6))heptan-3-ol, acetateRefChem:92787DTXCID80281416MIEOKFNJNHVJND-UHFFFAOYSA-N
Show more names
Tricyclo[2.2.1.02,6]heptan-3-ol, acetate (6CI,7CI,8CI,9CI)
3-Acetoxytricyclo[2.2.1.02,6]heptanetricyclo[2.2.1.02,6]heptan-3-yl acetateSCHEMBL17298189Tricyclo[2.2.1.02, acetateMFCD03419065NSC244469NSC-244469SY575489
Database identifiers
- CAS
6555-48-2- PubChem CID
- 428882
- DTXSID
DTXSID70330321- Nikkaji
- J141.009A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 71 · 71.0-71.5 °C(Press: 8 Torr)
- Density
- 1.0702 g/cm3 · 1.0702 g/cm3
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Compound notes
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