2-(2-Oxo-2h-chromen-3-yl)ethyl phenylcarbamate
Basic information
- CAS
93729-51-2- Standard SMILES
O=C(Nc1ccccc1)OCCc1cc2ccccc2oc1=O- InChIKey
OOAPGVOKBIFCMN-UHFFFAOYSA-N- Molecular formula
- C18H15NO4
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.10010796
Names & identifiers
- Preferred name
- 2-(2-Oxo-2h-chromen-3-yl)ethyl phenylcarbamate
- IUPAC
- 2-(2-oxochromen-3-yl)ethyl N-phenylcarbamate
Names & synonyms
93729-51-22-(2-oxo-2h-chromen-3-yl)ethyl phenylcarbamateNSC84601DTXSID40292684NSC-846012-(2-Oxo-2H-1-benzopyran-3-yl)ethyl phenylcarbamate
Database identifiers
- CAS
93729-51-2- PubChem CID
- 256997
- DTXSID
DTXSID40292684
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
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Compound notes
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