Basic information
- CAS
120666-79-7- Standard SMILES
O=C1OC2(c3ccccc3)CCCCCN1C2=O- InChIKey
JHTPNSZLWPWZLV-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Overview
RN & structure given in first source; RN given refers to (+-)-isomer; RN for cpd without isomeric designation not available 8/89
Names & identifiers
- Preferred name
- 7-Phenyl-9,10-dioxo-1-aza-8-oxabicyclo(5.2.1)decane
- IUPAC
- 7-phenyl-8-oxa-1-azabicyclo[5.2.1]decane-9,10-dione
- English name
- 7-phenyl-9,10-dioxo-1-aza-8-oxabicyclo(5.2.1)decane
- Molecular weight
- 0
Names & synonyms
PDAOD120666-79-77-Phenyl-9,10-dioxo-1-aza-8-oxabicyclo(5.2.1)decaneRefChem:1065467-phenyl-8-oxa-1-azabicyclo[5.2.1]decane-9,10-dioneCHEMBL1169567DTXSID30923511BDBM504700178-Oxa-1-azabicyclo(5.2.1)decane-9,10-dione, 7-phenyl-, (+-)-
Database identifiers
- CAS
120666-79-7- PubChem CID
- 129241
- DTXSID
DTXSID30923511- ChEMBL
CHEMBL1169567- Nikkaji
- J622.414H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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