5-Amino-2-hydroxycyclohepta-2,4,6-trien-1-one;formaldehyde
Basic information
- CAS
28158-60-3- Standard SMILES
C=O.Nc1ccc(O)c(=O)cc1- InChIKey
SZOZMBZNPIRPIH-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 5-Amino-2-hydroxycyclohepta-2,4,6-trien-1-one;formaldehyde
- IUPAC
- 5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one;formaldehyde
Names & synonyms
28158-60-3NSC83677DTXSID60292565NSC-836775-Amino-2-hydroxycyclohepta-2,4,6-trien-1-one--formaldehyde (1/1)
Database identifiers
- CAS
28158-60-3- PubChem CID
- 256642
- DTXSID
DTXSID60292565
Properties
Computed structural properties
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 250
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Related reactions
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Compound notes
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