6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3,4-trimethoxy-, oxime
Basic information
- CAS
50823-55-7- Standard SMILES
COc1cc2c(c(OC)c1OC)C/C(=N\O)CCC2- InChIKey
RCAKSFBHTACZEL-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3,4-trimethoxy-, oxime
- IUPAC
- (NZ)-N-(2,3,4-trimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine
- English name
- 2,3,4-Trimethoxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one oxime
- Molecular formula
- C14H19NO4
- Molecular weight
- 265.3
Names & synonyms
50823-55-76H-BENZOCYCLOHEPTEN-6-ONE, 5,7,8,9-TETRAHYDRO-2,3,4-TRIMETHOXY-, OXIMERefChem:1074166BRN 26619176-Oximido-2,3,4-trimethoxybenzocycloheptane2,3,4-Trimethoxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one oxime
Database identifiers
- CAS
50823-55-7- PubChem CID
- 6071809
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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