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Name |
4-Hydroxymethyl-nicotinic acid |
EINECS | N/A |
CAS No. | 72726-63-7 | Density | 1.404 g/cm3 |
PSA | 70.42000 | LogP | 0.27210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H7NO3 | Boiling Point | 385.5 °C at 760 mmHg |
Molecular Weight | 153.137 | Flash Point | 186.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-HYDROXYMETHYL-3-PYRIDINECARBOXYLIC ACID;4-HYDROXYMETHYL-NICOTINIC ACID;3-Pyridinecarboxylicacid,4-(hydroxymethyl)-(9CI) |
Article Data | 1 |
The 4-Hydroxymethyl-nicotinic acid has CAS registry number of 72726-63-7. It belongs to the product categories of Carboxylicacid; pharmacetical. Its molecular formula is C7H7NO3 and molecular weight is 153.14. What's more, its systematic name is 4-(Hydroxymethyl)pyridine-3-carboxylic acid.
Physical properties about the 4-Hydroxymethyl-nicotinic acid are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 70.42 Å2; (6)Index of Refraction: 1.608; (7)Molar Refractivity: 37.72 cm3; (8)Molar Volume: 109 cm3; (9)Surface Tension: 71.6 dyne/cm; (10)Density: 1.404 g/cm3; (11)Flash Point: 186.9 °C; (12)Enthalpy of Vaporization: 66.91 kJ/mol; (13)Boiling Point: 385.5 °C at 760 mmHg; (14)Vapour Pressure: 1.24E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cnccc1CO
(2) InChI: InChI=1/C7H7NO3/c9-4-5-1-2-8-3-6(5)7(10)11/h1-3,9H,4H2,(H,10,11)
(3) InChIKey: UNIPOZULSQYNNR-UHFFFAOYAW