Basic information
- CAS
18188-87-9- Standard SMILES
CCOC(=O)Nc1cccccc1=O- InChIKey
ZDMKAROHCJCELW-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester
- IUPAC
- ethyl N-(7-oxocyclohepta-1,3,5-trien-1-yl)carbamate
- English name
- 7-Oxo-1,3,5-cycloheptatriene-1-carbamic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
18188-87-9N-(2-Troponyl)ethylurethan1,3,5-CYCLOHEPTATRIENE-1-CARBAMIC ACID, 7-OXO-, ETHYL ESTERBRN 28051877-Oxo-1,3,5-cycloheptatriene-1-carbamic acid ethyl esterDTXSID00171209RefChem:217169DTXCID6093700ethyl N-(7-oxocyclohepta-1,3,5-trien-1-yl)carbamateEthyl (7-oxocyclohepta-1,3,5-trien-1-yl)carbamate
Database identifiers
- CAS
18188-87-9- PubChem CID
- 28947
- DTXSID
DTXSID00171209- Nikkaji
- J78.723J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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