Methoxy carbonyl formonitrile oxide
Basic information
- CAS
75625-07-9- Standard SMILES
COC(=O)[C+]=N[O-]- InChIKey
TWDRJLQYWBVSAF-UHFFFAOYSA-N- Molecular formula
- C3H3NO3
- Average molar mass
- 101.06 g/mol
- Monoisotopic mass
- 101.01129296
Names & identifiers
- Preferred name
- Methoxy carbonyl formonitrile oxide
- IUPAC
- methyl 2-oxidoiminoacetate
Names & synonyms
methoxy carbonyl formonitrile oxide75625-07-9DTXSID50505338[(E)-(2-Methoxy-2-oxoeth-1-ylium-1-ylidene)amino]oxidanide
Database identifiers
- CAS
75625-07-9- PubChem CID
- 12640355
- DTXSID
DTXSID50505338- Nikkaji
- J426.508D
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 88.2
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Compound notes
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