Basic information
- CAS
58816-02-7- Standard SMILES
Cc1cnccc1P(=O)(O)O- InChIKey
ZZYRTUITEAODBA-UHFFFAOYSA-N- Molecular formula
- C6H8NO3P
- Average molar mass
- 173.11 g/mol
- Monoisotopic mass
- 173.02418011
Names & identifiers
- Preferred name
- Phosphonic acid, (3-methyl-4-pyridinyl)-
- IUPAC
- (3-methyl-4-pyridinyl)phosphonic acid
Names & synonyms
Phosphonic acid, (3-methyl-4-pyridinyl)-58816-02-7NSC 287472(3-methylpyridin-4-yl)phosphonic acidNSC287472SCHEMBL11461208DTXSID80314697NSC-287472
Database identifiers
- CAS
58816-02-7- PubChem CID
- 323979
- DTXSID
DTXSID80314697
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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