N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide
Basic information
- CAS
74331-99-0- Standard SMILES
CC(=O)NC1=CC(=O)C(=O)C=C1- InChIKey
ZURSEPSYQSVJFZ-UHFFFAOYSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.04259309
Names & identifiers
- Preferred name
- N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide
- IUPAC
- N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide
Names & synonyms
N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide74331-99-0DTXSID30332624RefChem:361089DTXCID202837174-Acetylamino-o-benzochinonSCHEMBL31612276N-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-acetamide
Database identifiers
- CAS
74331-99-0- PubChem CID
- 459277
- DTXSID
DTXSID30332624- Nikkaji
- J413.105C
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 312
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…