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6306-54-3

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CAS No.: 6306-54-3
Name: 2H-Isoindole-2-aceticacid, 1,3-dihydro-a-(1-methylethyl)-1,3-dioxo-, (aS)-
Article Data: 52
Molecular Structure:
Molecular Structure of 6306-54-3 (2H-Isoindole-2-aceticacid, 1,3-dihydro-a-(1-methylethyl)-1,3-dioxo-, (aS)-)
Formula: C13H13 N O4
Molecular Weight: 247.251
Synonyms: 2-Isoindolineaceticacid, a-isopropyl-1,3-dioxo-, L- (8CI);2H-Isoindole-2-acetic acid, 1,3-dihydro-a-(1-methylethyl)-1,3-dioxo-, (S)-;(S)-2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-methylbutanoic acid;L-N-Phthaloylvaline; N-Phthaloyl-(S)-valine; N-Phthaloyl-L-valine; NSC 22912
Density: 1.353g/cm3
Melting Point: 114-115 °C
Boiling Point: 416.5°C at 760 mmHg
Flash Point: 205.7°C
Risk Codes: 25
PSA: 74.68000
LogP: 1.32970
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Chemistry

Product Name: 2-Phthalimido-3-methylbutanoic acid (CAS NO.6306-54-3)

Molecular Formula: C13H13NO4
Molecular Weight: 247.25g/mol
Mol File: 6306-54-3.mol
Boiling point: 416.5 °C at 760 mmHg
Flash Point: 205.7 °C
Density: 1.353 g/cm3
Surface Tension: 59.5 dyne/cm
Enthalpy of Vaporization: 70.61 kJ/mol
Vapour Pressure: 1.11E-07 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 2-Phthalimido-3-methylbutanoic acid (CAS NO.6306-54-3):
  IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid 
  Canonical SMILES: CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
  InChI: InChI=1S/C13H13NO4/c1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16/h3-7,10H,1-2H3,(H,17,18) 
  InChIKey: UUIPGCXIZVZSEC-UHFFFAOYSA-N

Specification

 2-Phthalimido-3-methylbutanoic acid , its CAS NO. is 6306-54-3, the synonym is N-Phthaloyl-L-valine .