Basic information
- CAS
82872-93-3- Standard SMILES
CC1(C)OC2(C)CCC1C1C2N1C(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
WKHNLBMOCOAPPQ-UHFFFAOYSA-N- Molecular formula
- C17H20N2O4
- Average molar mass
- 316.35 g/mol
- Monoisotopic mass
- 316.14230712
Names & identifiers
- Preferred name
- (4-Nitrophenyl)-(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl)methanone
- IUPAC
- (4-nitrophenyl)-(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl)methanone
Names & synonyms
NSC33560982872-93-3DTXSID10318769NSC-335609(4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone
Database identifiers
- CAS
82872-93-3- PubChem CID
- 333541
- DTXSID
DTXSID10318769
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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