[(E)-[amino(pyridin-3-yl)methylidene]amino] acetate
Basic information
- CAS
296767-16-3- Standard SMILES
CC(=O)O/N=C(/N)c1cccnc1- InChIKey
PVLUBQFJUMTXOO-UHFFFAOYSA-N- Molecular formula
- C8H9N3O2
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.06947654
Names & identifiers
- Preferred name
- [(E)-[amino(pyridin-3-yl)methylidene]amino] acetate
- IUPAC
- [(E)-[amino(pyridin-3-yl)methylidene]amino] acetate
Names & synonyms
Nicotinamidoxime, o-acetyl-,
Database identifiers
- CAS
296767-16-3- PubChem CID
- 9604629
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
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Related reactions
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Compound notes
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