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CAS No.: | 127838-58-8 |
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Name: | 2(1H)-Pyridinone,4-(hydroxymethyl)-(9CI) |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H7NO2 |
Molecular Weight: | 125.127 |
Synonyms: | 4-(Hydroxymethyl)-2(1H)-pyridinone; |
Density: | 1.225 g/cm3 |
Boiling Point: | 428.035 °C at 760 mmHg |
Flash Point: | 212.668 °C |
PSA: | 53.09000 |
LogP: | -0.13280 |
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This chemical is called 2(1H)-Pyridinone,4-(hydroxymethyl)-, and its systematic name is 4-(hydroxymethyl)pyridin-2-ol. With the molecular formula of C6H7NO2, its molecular weight is 125.1253. The CAS registry number of this chemical is 127838-58-8. Additionally, its product category is Pyridine.
Other characteristics of the 2(1H)-Pyridinone,4-(hydroxymethyl)- can be summarised as followings: (1)ACD/LogP: -1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6; (8)ACD/KOC (pH 7.4): 6; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 31.969 cm3; (15)Molar Volume: 102.135 cm3; (16)Polarizability: 12.674×10-24cm3; (17)Surface Tension: 43.703 dyne/cm; (18)Density: 1.225 g/cm3; (19)Flash Point: 212.668 °C; (20)Enthalpy of Vaporization: 78.879 kJ/mol; (21)Boiling Point: 428.035 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCc1ccnc(O)c1
2.InChI: InChI=1/C6H7NO2/c8-4-5-1-2-7-6(9)3-5/h1-3,8H,4H2,(H,7,9)
3.InChIKey: NVWMXLBVGGYAQW-UHFFFAOYAN