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502509-05-9

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Basic Information
CAS No.: 502509-05-9
Name: 2-CYANO-4-PYRIDINE ACETIC ACID
Molecular Structure:
Molecular Structure of 502509-05-9 (2-CYANO-4-PYRIDINE ACETIC ACID)
Formula: C8H6N2O2
Molecular Weight: 162.148
Synonyms: 2-Cyano-4-pyridine acetic acid;(2-Cyanopyridin-4-yl)acetic acid;
Density: 1.34 g/cm3
Boiling Point: 397.2 °C at 760 mmHg
Flash Point: 194 °C
PSA: 73.98000
LogP: 0.58038
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Specification

The CAS register number of 4-Pyridineacetic acid,2-cyano- is 502509-05-9. It also can be called as (2-Cyanopyridin-4-yl)acetic acid and the systematic name about this chemical is 2-(2-cyano-4-pyridyl)acetic acid. The molecular formula about this chemical is C8H6N2O2 and the molecular weight is 162.15.

Physical properties about 4-Pyridineacetic acid,2-cyano- are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 73.98 Å2; (5)Index of Refraction: 1.579; (6)Molar Refractivity: 40.02 cm3; (7)Molar Volume: 120.3 cm3; (8)Polarizability: 15.86x10-24cm3; (9)Surface Tension: 70.7 dyne/cm; (10)Density: 1.34 g/cm3; (11)Flash Point: 194 °C; (12)Enthalpy of Vaporization: 68.29 kJ/mol; (13)Boiling Point: 397.2 °C at 760 mmHg; (14)Vapour Pressure: 5.08E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(CC(O)=O)ccn1
(2)InChI: InChI=1/C8H6N2O2/c9-5-7-3-6(1-2-10-7)4-8(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: RUHXLBCLPMDMFS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H6N2O2/c9-5-7-3-6(1-2-10-7)4-8(11)12/h1-3H,4H2,(H,11,12)
(5)Std. InChIKey: RUHXLBCLPMDMFS-UHFFFAOYSA-N