Basic information
- CAS
408536-38-9- Standard SMILES
COc1cc(C#N)c2ncccc2c1- InChIKey
SSXRFRLVTQROEI-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
Names & identifiers
- Preferred name
- 6-Methoxyquinoline-8-carbonitrile
- IUPAC
- 6-methoxyquinoline-8-carbonitrile
- English name
- 6-methoxy-8-cyano quinoline
- Molecular formula
- C11H8N2O
- Molecular weight
- 184.19
Names & synonyms
408536-38-96-METHOXYQUINOLINE-8-CARBONITRILESCHEMBL20554179AT426296-methoxy-8-cyano quinoline8-Quinolinecarbonitrile, 6-methoxy-
Database identifiers
- CAS
408536-38-9
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 149 · 149-151 °C
- Boiling point
- 158 · 158-161 °C(Press: 0.2 Torr)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 1.81 · 1.81±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
常州市马龙化工有限公司18651958646
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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