Basic information
- CAS
50823-52-4- Standard SMILES
COC(=O)NC1CCCc2cc(OC)c(OC)c(O)c2C1- InChIKey
PWFIXEFPEFAERD-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- Carbamic acid, (2,3-dimethoxy-4-hydroxy-6,7,8,9-tetrahydrobenzocyclohepten-6-yl)-, methyl ester
- IUPAC
- methyl N-(4-hydroxy-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbamate
- English name
- 2,3-Dimethoxy-6-(methoxycarbonylamino)-6,7,8,9-tetrahydro-5H-benzocyclohepten-4-ol
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
50823-52-4BRN 27667516-Carbomethoxyamino-2,3-dimethoxy-4-hydroxybenzocycloheptaneCarbamic acid, (2,3-dimethoxy-4-hydroxy-6,7,8,9-tetrahydrobenzocyclohepten-6-yl)-, methyl esterRefChem:331821DTXSID90965058Methyl hydrogen (4-hydroxy-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbonimidate2,3-Dimethoxy-6-(methoxycarbonylamino)-6,7,8,9-tetrahydro-5H-benzocyclohepten-4-olCarbamic acid, (6,7,8,9-tetrahydro-4-hydroxy-2,3-dimethoxy-5H-benzocyclohepten-6-yl)-, methyl ester (9CI)
Database identifiers
- CAS
50823-52-4- PubChem CID
- 39802
- DTXSID
DTXSID90965058- Nikkaji
- J69.279D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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