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64531-49-3

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Basic Information
CAS No.: 64531-49-3
Name: (S)-(-)-2-METHOXYPROPIONITRILE
Molecular Structure:
Molecular Structure of 64531-49-3 ((S)-(-)-2-METHOXYPROPIONITRILE)
Formula: C4H7NO
Molecular Weight: 85.1057
Synonyms: (S)-(-)-2-Methoxypropionitrile;(2S)-2-Methoxypropanenitrile;(S)-(-)-2-Methoxypropionitrile,98%;(2S)-2-Methylpropanenitrile;
Density: 0.898 g/cm3
Boiling Point: 120.6 °C at 760 mmHg
Flash Point: 41.1 °C
Appearance: Liquid
Hazard Symbols: Xn
PSA: 33.02000
LogP: 0.54488
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Specification

The CAS register number of Propanenitrile,2-methoxy-, (S)- (9CI) is 64531-49-3. It also can be called as (S)-(-)-2-Methoxypropionitrile and the systematic name about this chemical is (2S)-2-methoxypropanenitrile. The molecular formula about this chemical is C4H7NO and the molecular weight is 85.1. It belongs to the following product categorie which include Chiral Reagents.

Physical properties about Propanenitrile,2-methoxy-, (S)- (9CI) are: (1)ACD/LogP: -0.26; (2)ACD/LogD (pH 5.5): -0.26; (3)ACD/LogD (pH 7.4): -0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.24; (7)ACD/KOC (pH 7.4): 17.24; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 33.02 Å2; (11)Index of Refraction: 1.385; (12)Molar Refractivity: 22.19 cm3; (13)Molar Volume: 94.6 cm3; (14)Polarizability: 8.79x10-24cm3; (15)Surface Tension: 27.4 dyne/cm; (16)Density: 0.898 g/cm3; (17)Flash Point: 41.1 °C; (18)Enthalpy of Vaporization: 35.87 kJ/mol; (19)Boiling Point: 120.6 °C at 760 mmHg; (20)Vapour Pressure: 15.1 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C[C@@H](OC)C
(2)InChI: InChI=1/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1
(3)InChIKey: SFPQDYSOPQHZAQ-BYPYZUCNBA
(4)Std. InChI: InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1
(5)Std. InChIKey: SFPQDYSOPQHZAQ-BYPYZUCNSA-N