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6297-93-4

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Basic Information
CAS No.: 6297-93-4
Name: PHT-GLY-OTBU
Molecular Structure:
Molecular Structure of 6297-93-4 (PHT-GLY-OTBU)
Formula: C14H15 N O4
Molecular Weight: 261.277
Synonyms: 2-Isoindolineaceticacid, 1,3-dioxo-, tert-butyl ester (7CI,8CI); NSC 126801; NSC 45837
Density: 1.245 g/cm3
Melting Point: 96.0-97.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
Boiling Point: 370.8ºC at 760 mmHg
Flash Point: 178ºC
PSA: 63.68000
LogP: 1.56220
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Chemistry

Product Name: tert-Butyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS NO.6297-93-4)

Molecular Formula: C14H15NO4
Molecular Weight: 261.27g/mol
Mol File: 6297-93-4.mol
Boiling point: 370.8 °C at 760 mmHg
Flash Point: 178 °C
Density: 1.245 g/cm3
Surface Tension: 47.7 dyne/cm
Enthalpy of Vaporization: 61.77 kJ/mol
Vapour Pressure: 1.08E-05 mmHg at 25°C
XLogP3-AA: 2.2
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of tert-Butyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS NO.6297-93-4):
  IUPAC Name: tert-butyl 2-(1,3-dioxoisoindol-2-yl)acetate
  Canonical SMILES: CC(C)(C)OC(=O)CN1C(=O)C2=CC=CC=C2C1=O
  InChI: InChI=1S/C14H15NO4/c1-14(2,3)19-11(16)8-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7H,8H2,1-3H3 
  InChIKey: LAFNOENFXFPJKD-UHFFFAOYSA-N