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CAS No.: | 7251-97-0 |
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Name: | 2-Cyano-pentanedioic acid diethyl ester |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C10H15NO4 |
Molecular Weight: | 213.233 |
Synonyms: | Pentanedioicacid, 2-cyano-, diethyl ester (9CI);1-Cyano-1,3-propanedicarboxylic aciddiethyl ester;NSC 15768;Diethyl 2-cyanopentanedioate;2-Cyano-pentanedioic acid diethyl ester; |
Density: | 1.097 g/cm3 |
Boiling Point: | 316.9 °C at 760 mmHg |
Flash Point: | 137.7 °C |
PSA: | 76.39000 |
LogP: | 1.03258 |
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The Pentanedioic acid,2-cyano-, 1,5-diethyl ester, with the CAS registry number 7251-97-0, is also known as 2-Cyano-pentanedioic acid diethyl ester. This chemical's molecular formula is C10H15NO4 and molecular weight is 213.23. What's more, its systematic name is Diethyl 2-cyanopentanedioate.
Physical properties of Pentanedioic acid,2-cyano-, 1,5-diethyl ester are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 76.39 Å2; (7)Index of Refraction: 1.445; (8)Molar Refractivity: 51.79 cm3; (9)Molar Volume: 194.3 cm3; (10)Polarizability: 20.53×10-24 cm3; (11)Surface Tension: 38.8 dyne/cm; (12)Density: 1.097 g/cm3; (13)Flash Point: 137.7 °C; (14)Enthalpy of Vaporization: 55.83 kJ/mol; (15)Boiling Point: 316.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000398 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(C(=O)OCC)CCC(=O)OCC
(2)InChI: InChI=1/C10H15NO4/c1-3-14-9(12)6-5-8(7-11)10(13)15-4-2/h8H,3-6H2,1-2H3
(3)InChIKey: CFYXWCUNWACGLA-UHFFFAOYSA-N