Basic information
- CAS
17372-80-4- Standard SMILES
COc1cc2ccccc2nn1- InChIKey
XZPZVFAARDDFLG-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Overview
3-methoxycinnoline is a member of cinnolines.
Names & identifiers
- Preferred name
- 3-Methoxycinnoline
- IUPAC
- 3-methoxycinnoline
Names & synonyms
3-methoxycinnoline17372-80-4methoxycinnolineCinnoline, 3-methoxy-Maybridge3_0034363-Cinnolinyl methyl ether #MLS000859025SCHEMBL194247SCHEMBL1641167CHEMBL1441156SCHEMBL30315534CHEBI:109217
Show more names
XZPZVFAARDDFLG-UHFFFAOYSA-NDTXSID901325503HMS1440M04HMS2805C22IDI1_014823SMR000459204Q27188292
Database identifiers
- CAS
17372-80-4- PubChem CID
- 560720
- DTXSID
DTXSID901325503- ChEMBL
CHEMBL1441156- ChEBI
CHEBI:109217
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Solubility10.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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