Pyridine-3-carboperoxoic acid
Basic information
- CAS
121343-63-3- Standard SMILES
O=C(OO)c1cccnc1- InChIKey
YCOXMESWGGHVBG-UHFFFAOYSA-N- Molecular formula
- C6H5NO3
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.02694302
Names & identifiers
- Preferred name
- Pyridine-3-carboperoxoic acid
- IUPAC
- pyridine-3-carboperoxoic acid
- English name
- 3-Pyridinecarboperoxoicacid(9CI)
- Molecular formula
- C6H5NO3
- Molecular weight
- 0
Names & synonyms
Pyridine-3-carboperoxoic acid121343-63-33-Pyridinecarboperoxoicacid(9CI)3-pyridinecarboperoxoic acidSCHEMBL8537983DTXSID20601619
Database identifiers
- CAS
121343-63-3- PubChem CID
- 19977752
- DTXSID
DTXSID20601619
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
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Related reactions
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Compound notes
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