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CAS No.: | 7340-22-9 |
---|---|
Name: | 3-(2-PYRIDYL)ACRYLIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H7NO2 |
Molecular Weight: | 149.149 |
Synonyms: | 2-Pyridineacrylicacid (7CI,8CI);3-(2-Pyridyl)-2-propenoic acid;3-(2-Pyridyl)acrylic acid;NSC63239; |
EINECS: | 214-424-0 |
Density: | 1.261 g/cm3 |
Melting Point: | 201-203 °C |
Boiling Point: | 304.8 °C at 760 mmHg |
Flash Point: | 138.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 50.19000 |
LogP: | 1.17940 |
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This chemical is called 2-Propenoic acid, 3-(2-pyridinyl)-. With the molecular formula of C8H7NO2, its molecular weight is 149.15. The CAS registry number of this chemical is 7340-22-9. Additionally, its product categories are Miscellaneous; Pharmacetical.
Other characteristics of the 2-Propenoic acid, 3-(2-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.96; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 41.79 cm3; (15)Molar Volume: 118.2 cm3; (16)Polarizability: 16.57×10-24cm3; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 138.1 °C; (20)Enthalpy of Vaporization: 57.56 kJ/mol; (21)Boiling Point: 304.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000376 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)\C=C\c1ncccc1
2.InChI: InChI=1/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)/b5-4+
3.InChIKey: LKDFTXDJKHGCAC-SNAWJCMRBN