Basic information
- CAS
2624139-72-4- Standard SMILES
COC(=O)c1ccc(P(C)(C)=O)nc1- InChIKey
WLQDBCXVBKGRSD-UHFFFAOYSA-N- Molecular formula
- C9H12NO3P
- Average molar mass
- 213.17 g/mol
- Monoisotopic mass
- 213.05548024
Names & identifiers
- Preferred name
- Methyl 6-(dimethylphosphoryl)nicotinate
- IUPAC
- methyl 6-dimethylphosphorylpyridine-3-carboxylate
- English name
- methyl 6-(dimethylphosphoryl)pyridine-3-carboxylate
- Molecular formula
- C9H12NO3P
- Molecular weight
- 213.17
Names & synonyms
Methyl 6-(dimethylphosphoryl)nicotinate2624139-72-4methyl 6-(dimethylphosphoryl)pyridine-3-carboxylatemethyl 6-dimethylphosphorylpyridine-3-carboxylateMFCD33550286CS-0531164F77151EN300-27746428F7829123-Pyridinecarboxylic acid, 6-(dimethylphosphinyl)-, methyl ester
Database identifiers
- CAS
2624139-72-4- PubChem CID
- 155978153
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 387.3 · 387.3±42.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- -1.12 · -1.12±0.29(Predicted)
Chemistry & industry
Suppliers8 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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