Basic information
- CAS
23826-71-3- Standard SMILES
COc1ccc(C(=O)c2cccnc2)cc1- InChIKey
JVCNCXKAEBIVBO-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)-3-pyridinylmethanone
- IUPAC
- (4-methoxyphenyl)-pyridin-3-ylmethanone
- English name
- 4-Methoxyphenyl(3-pyridinyl) ketone
- Molecular formula
- C13H11NO2
- Molecular weight
- 213.23
Names & synonyms
23826-71-3(4-Methoxyphenyl)-3-pyridinylmethanoneKETONE, (p-METHOXYPHENYL) 3-PYRIDYLDTXSID60178532RefChem:1050433DTXCID201010233-(4-Methoxybenzoyl)pyridine(4-Methoxyphenyl)(pyridin-3-yl)methanone(4-methoxyphenyl)-pyridin-3-ylmethanone4-Methoxyphenyl(3-pyridinyl) ketonep-Anisyl 3-pyridyl ketonep-Methoxyphenyl 3-pyridyl ketone
Show more names
Methanone, (4-methoxyphenyl)-3-pyridinyl-
Ketone, p-anisyl 3-pyridylPyridine, 3-(4-methoxybenzoyl)-BRN 0153949SCHEMBL9520820SCHEMBL29691989JVCNCXKAEBIVBO-UHFFFAOYSA-NMFCD01716433DA-43109
Database identifiers
- CAS
23826-71-3- PubChem CID
- 32108
- DTXSID
DTXSID60178532- Nikkaji
- J41.567G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 99 · 99-99.5 °C
- Boiling point
- 353.22 °C · 353.22°C (rough estimate)
- Density
- 1.1544 · 1.1544 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- 3.06 · 3.06±0.10(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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