Basic information
- CAS
1466-87-1- Standard SMILES
CC(=O)NC1=CC(=O)C(C)=CC1=O- InChIKey
XSUQAINSGAMXTK-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- Acetamide, N-(5-methyl-p-benzoquinonyl)-
- IUPAC
- N-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
Names & synonyms
1466-87-1Acetamide, N-(5-methyl-p-benzoquinonyl)-NSC-128736NSC128736XBE9XH97NCSCHEMBL28654605DTXSID70932864NSC 1287365-methyl-2-acetamido-1,4-benzoquinoneN-(4-Methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)acetamideAcetamide, N-(4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-N-(4-Methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)ethanimidic acid
Database identifiers
- CAS
1466-87-1- PubChem CID
- 97510
- DTXSID
DTXSID70932864- UNII
- XBE9XH97NC
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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