N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide
Basic information
- CAS
59953-57-0- Standard SMILES
CC(=O)NC(C)CC1=CC(=O)C(C)=CC1=O- InChIKey
GEQBCAUJFWFFDW-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide
- IUPAC
- N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide
Names & synonyms
59953-57-0NSC290681N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamideDTXSID30314985NSC-290681
Database identifiers
- CAS
59953-57-0- PubChem CID
- 324586
- DTXSID
DTXSID30314985
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 404
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Compound notes
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