Basic Information | Post buying leads | Suppliers |
Name |
2-Propenoic acid,2-cyano-3-(3-pyridinyl)- |
EINECS | N/A |
CAS No. | 103029-74-9 | Density | 1.361 g/cm3 |
PSA | 73.98000 | LogP | 1.07318 |
Solubility | N/A | Melting Point |
195oC |
Formula | C9H6N2O2 | Boiling Point | 362.2 °C at 760 mmHg |
Molecular Weight | 174.16 | Flash Point | 172.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Pyridineacrylicacid, a-cyano- (6CI);2-Cyano-3-(3-pyridyl)acrylic acid; |
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: 18.31×10-24 cm3; (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