Basic information
- CAS
56125-93-0- Standard SMILES
COC(=O)N1C=CC2C=CC1C2- InChIKey
NTOQKCHMWUYMOV-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester
- IUPAC
- methyl 2-azabicyclo[3.2.1]octa-3,6-diene-2-carboxylate
Names & synonyms
56125-93-02-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester2-Azabicyclo[3.2.1]octa-3,6-diene-2-carboxylic acid methyl esterMETHYL 2-AZABICYCLO[3.2.1]OCTA-3,6-DIENE-2-CARBOXYLATEDTXSID30971496
Database identifiers
- CAS
56125-93-0- PubChem CID
- 143333
- DTXSID
DTXSID30971496- Nikkaji
- J2.850.742I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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