4-Methoxyphthalimide - CAS 50727-04-3
Catalog: |
BB046629 |
Product Name: |
4-Methoxyphthalimide |
CAS: |
50727-04-3 |
Synonyms: |
5-methoxyisoindoline-1,3-dione; 5-Methoxy-1H-isoindole-1,3(2H)-dione; 5-methoxy-2,3-dihydro-1H-isoindole-1,3-dione |
IUPAC Name: | 5-methoxyisoindole-1,3-dione |
Description: | 4-Methoxyphthalimide (CAS# 50727-04-3 ) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | COC1=CC2=C(C=C1)C(=O)NC2=O |
InChI: | InChI=1S/C9H7NO3/c1-13-5-2-3-6-7(4-5)9(12)10-8(6)11/h2-4H,1H3,(H,10,11,12) |
InChI Key: | BIANPEOCBJDOEM-UHFFFAOYSA-N |
Melting Point: | 219 °C |
Purity: | ≥ 97 % |
Density: | 1.346±0.06 g/cm3 (Predicted) |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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