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Pentanedioic acid,2-cyano-, 1,5-diethyl ester

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Name

Pentanedioic acid,2-cyano-, 1,5-diethyl ester

EINECS N/A
CAS No. 7251-97-0 Density 1.097 g/cm3
PSA 76.39000 LogP 1.03258
Solubility N/A Melting Point N/A
Formula C10H15NO4 Boiling Point 316.9 °C at 760 mmHg
Molecular Weight 213.233 Flash Point 137.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7251-97-0 (2-Cyano-pentanedioic acid diethyl ester) Hazard Symbols N/A
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;

Article Data 17

Pentanedioic acid,2-cyano-, 1,5-diethyl ester Specification

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

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