3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
Basic information
- CAS
102206-43-9- Standard SMILES
O=C(Nc1ccc2c(c1)OCO2)O/N=C/c1cccnc1- InChIKey
VPLWBKIWYWSHPA-LZYBPNLTSA-N- Molecular formula
- C14H11N3O4
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.07495584
Names & identifiers
- Preferred name
- 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
- IUPAC
- [(E)-pyridin-3-ylmethylideneamino] N-(1,3-benzodioxol-5-yl)carbamate
Names & synonyms
3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime102206-43-9RefChem:1068644
Database identifiers
- CAS
102206-43-9- PubChem CID
- 9554606
- Nikkaji
- J78.918F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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