N-(5-Hexynyl)phthalimide - CAS 6097-08-1
Catalog: |
BB030877 |
Product Name: |
N-(5-Hexynyl)phthalimide |
CAS: |
6097-08-1 |
Synonyms: |
2-hex-5-ynylisoindole-1,3-dione |
IUPAC Name: | 2-hex-5-ynylisoindole-1,3-dione |
Description: | N-(5-Hexynyl)phthalimide (CAS# 6097-08-1) is a useful research chemical. |
Molecular Weight: | 227.26 |
Molecular Formula: | C14H13NO2 |
Canonical SMILES: | C#CCCCCN1C(=O)C2=CC=CC=C2C1=O |
InChI: | InChI=1S/C14H13NO2/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(15)17/h1,5-6,8-9H,3-4,7,10H2 |
InChI Key: | WALVSJIWVWDFCU-UHFFFAOYSA-N |
Boiling Point: | 360.2 °C at 760 mmHg |
Density: | 1.196 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD00671372 |
LogP: | 2.02400 |
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Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.094628657 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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