Basic information
- CAS
27571-10-4- Standard SMILES
COc1ccc(NC(C)=O)ccc1=O- InChIKey
KAOGYPHXPHYDIU-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- Acetamide, N-(4-methoxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-
- IUPAC
- N-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide
Names & synonyms
27571-10-4Acetamide, N-(4-methoxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-N-(4-Methoxy-5-oxo-1,3,6-cycloheptatrien-1-yl)acetamideN-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamideSCHEMBL11096046DTXSID90181973
Database identifiers
- CAS
27571-10-4- PubChem CID
- 147173
- DTXSID
DTXSID90181973
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 350
Related reactions
1 records
Compound notes
Loading…