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CAS No.: | 60899-34-5 |
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Name: | 2,3-dihydro-1-oxo-1H-indene-4-carbonitrile |
Molecular Structure: | |
Formula: | C10H7NO |
Molecular Weight: | 157.172 |
Synonyms: | 4-Cyano-1-indanone;4-Cyanoindanone; |
Density: | 1.23 g/cm3 |
Melting Point: | 116-117 °C |
Boiling Point: | 330.1 °C at 760 mmHg |
Flash Point: | 153.4 °C |
PSA: | 40.86000 |
LogP: | 1.68718 |
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The 4-Cyano-1-indanone ,its cas register number is 60899-34-5.It also can be called as 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile and the IUPAC name about this chemicals is 1-Oxo-2,3-dihydroindene-4-carbonitrile .It belongs to the Building Blocks.
Following are the chemical properties about 4-Cyano-1-indanone :(1)#H bond acceptors: 2 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 0 ; (4)Polar Surface Area: 40.86 Å ; (5)Index of Refraction: 1.596 ; (6)Molar Refractivity: 43.27 cm3 ; (7)Molar Volume: 127.1 cm3; (8)Surface Tension: 54.4 dyne/cm; (9)Enthalpy of Vaporization: 57.26 kJ/mol ; (10)Vapour Pressure: 0.00017 mmHg at 25°C .
This chemicals can be described computed from structure:
(1)Canonical SMILES: C1CC(=O)C2=CC=CC(=C21)C#N
(2)InChI: InChI=1S/C10H7NO/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3H,4-5H2
(3)InChIKey: SCTBWJINDJVNDM-UHFFFAOYSA-N