CAS No.103029-74-9,2-CYANO-3-(3-PYRIDINYL)ACRYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103029-74-9
Name:	2-CYANO-3-(3-PYRIDINYL)ACRYLIC ACID

Formula:	C₉H₆N₂O₂
Molecular Weight:	174.16
Synonyms:	3-Pyridineacrylicacid, a-cyano- (6CI);2-Cyano-3-(3-pyridyl)acrylic acid;
Density:	1.361 g/cm³
Melting Point:	195oC
Boiling Point:	362.2 °C at 760 mmHg
Flash Point:	172.9 °C
Hazard Symbols:	Xi
PSA:	73.98000
LogP:	1.07318

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Specification

The 2-Propenoic acid,2-cyano-3-(3-pyridinyl)-, with the CAS registry number 103029-74-9, is also known as 1H-Indole,2,3-diphenyl-. This chemical's molecular formula is C₉H₆N₂O₂ and molecular weight is 174.16. What's more, its systematic name is (2E)-2-cyano-3-pyridin-3-ylprop-2-enoic acid.

Physical properties of 2-Propenoic acid,2-cyano-3-(3-pyridinyl)- are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.83; (4)ACD/LogD (pH 7.4): -2.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.98 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 46.18 cm³; (15)Molar Volume: 127.9 cm³; (16)Polarizability: 18.31×10^-24cm³; (17)Surface Tension: 70.2 dyne/cm; (18)Density: 1.361 g/cm³; (19)Flash Point: 172.9 °C; (20)Enthalpy of Vaporization: 64.17 kJ/mol; (21)Boiling Point: 362.2 °C at 760 mmHg; (22)Vapour Pressure: 7.01×10^-6 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(C(=O)O)=C\c1cccnc1
(2)InChI: InChI=1/C₉H₆N₂O₂/c10-5-8(9(12)13)4-7-2-1-3-11-6-7/h1-4,6H,(H,12,13)/b8-4+
(3)InChIKey: SJDCYAGLGBTHKD-XBXARRHUBN