Basic information
- CAS
19281-37-9- Standard SMILES
O=C(Nc1ccc(O)c(=O)cc1)c1ccccc1- InChIKey
VJYMHMURUDYNNO-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one
- IUPAC
- N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)benzamide
Names & synonyms
19281-37-95-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one0LFV92J0J82,4,6-CYCLOHEPTATRIEN-1-ONE, 5-BENZAMIDO-2-HYDROXY-NSC-79556Benzamide, N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-DTXSID60172878RefChem:1072644DTXCID7095369N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)benzamideNSC 79556BRN 2941410
Show more names
NSC79556Benzamide, N-(2-hydroxy-1-oxo-2,4,6-cycloheptatrienyl)-WLN: L7VJ BQ EMVRNCIOpen2_004648UNII-0LFV92J0J8SCHEMBL16749032Benzamide,4,6-cycloheptatrienyl)-Benzamide,3,6-cycloheptatrien-1-yl)-
Database identifiers
- CAS
19281-37-9- PubChem CID
- 29528
- DTXSID
DTXSID60172878- UNII
- 0LFV92J0J8
- Nikkaji
- J48.600K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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