Pentyl 9h-xanthen-9-ylcarbamate
Basic information
- CAS
6319-59-1- Standard SMILES
CCCCCOC(=O)NC1c2ccccc2Oc2ccccc21- InChIKey
PIIQTOABHTTXII-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- Pentyl 9h-xanthen-9-ylcarbamate
- IUPAC
- pentyl N-(9H-xanthen-9-yl)carbamate
Names & synonyms
6319-59-1pentyl 9h-xanthen-9-ylcarbamateNSC31072DTXSID40283370NSC-31072
Database identifiers
- CAS
6319-59-1- PubChem CID
- 233012
- DTXSID
DTXSID40283370
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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