4-Ethoxyphthalimide - CAS 50727-05-4
Catalog: |
BB065971 |
Product Name: |
4-Ethoxyphthalimide |
CAS: |
50727-05-4 |
Synonyms: |
5-ethoxy-2,3-dihydro-1H-isoindole-1,3-dione; 5-ethoxyisoindole-1,3-dione |
IUPAC Name: | 5-ethoxyisoindole-1,3-dione |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | CCOC1=CC2=C(C=C1)C(=O)NC2=O |
InChI: | InChI=1S/C10H9NO3/c1-2-14-6-3-4-7-8(5-6)10(13)11-9(7)12/h3-5H,2H2,1H3,(H,11,12,13) |
InChI Key: | TVSKCUHMZOIRNW-UHFFFAOYSA-N |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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