3-Ethanimidoyl-6-methyl-2H-pyran-2,4(3H)-dione
Basic information
- CAS
90005-82-6- Standard SMILES
CC(=N)C1C(=O)C=C(C)OC1=O- InChIKey
QOQWPVSIVMJHGM-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 3-Ethanimidoyl-6-methyl-2H-pyran-2,4(3H)-dione
- IUPAC
- 3-ethanimidoyl-6-methylpyran-2,4-dione
Names & synonyms
90005-82-6NSC3284633-Ethanimidoyl-6-methyl-2H-pyran-2,4(3H)-dioneDTXSID10318300NSC-328463
Database identifiers
- CAS
90005-82-6- PubChem CID
- 332269
- DTXSID
DTXSID10318300
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 291
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Compound notes
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