Basic information
- CAS
20030-91-5- Standard SMILES
O=C1C[C@H]2CCC[C@@H]2C[C@H]1Cl- InChIKey
DGPYDWYKOLPYRD-BWZBUEFSSA-N- Molecular formula
- C9H13ClO
- Average molar mass
- 172.65 g/mol
- Monoisotopic mass
- 172.0654927
Names & identifiers
- Preferred name
- 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-
- IUPAC
- (3aR,6R,7aR)-6-chloro-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
Names & synonyms
5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-20030-91-5DTXSID10349114(3aR,6R,7aR)-6-chlorooctahydro-5H-inden-5-oneRefChem:305667DTXCID30300186InChI=1/C9H13ClO/c10-8-4-6-2-1-3-7(6)5-9(8)11/h6-8H,1-5H2/t6-,7-,8-/m1/s
Database identifiers
- CAS
20030-91-5- PubChem CID
- 643126
- DTXSID
DTXSID10349114
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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