Basic information
- Standard SMILES
O=C(NCCOCCO)OCc1c2ccccc2cc2ccccc12- InChIKey
CYKQAPMSSKXQPX-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Names & identifiers
- Preferred name
- [2-(2-Hydroxy-ethoxy)-ethyl]-carbamic acid anthracen-9-ylmethyl ester
- IUPAC
- anthracen-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
Names & synonyms
744203-58-5[2-(2-Hydroxy-ethoxy)-ethyl]-carbamic acid anthracen-9-ylmethyl esterSCHEMBL996270DTXSID30438034CYKQAPMSSKXQPX-UHFFFAOYSA-N(Anthracen-9-yl)methyl [2-(2-hydroxyethoxy)ethyl]carbamate[2-(2-Hydroxyethoxy)-ethyl]-carbamic acid anthracen-9-ylmethyl ester
Database identifiers
- CAS
744203-58-5- PubChem CID
- 10315131
- DTXSID
DTXSID30438034
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 395
Related reactions
45 records
Linked notes
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