Basic information
- CAS
7070-71-5- Standard SMILES
CNC(=O)Oc1ccccc1C1OCC=CCO1- InChIKey
MIWDHMIFYCWVSC-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester
- IUPAC
- [2-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl] N-methylcarbamate
Names & synonyms
o-(4,7-Dihydro-1,3-dioxepin-2-yl)phenyl methylcarbamateCarbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester7070-71-5DTXSID70220970RefChem:332575DTXCID001434612-(4,7-Dihydro-2H-1,3-dioxepin-2-yl)phenyl methylcarbamate
Database identifiers
- CAS
7070-71-5- PubChem CID
- 201894
- DTXSID
DTXSID70220970
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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