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72726-63-7

Basic Information
CAS No.: 72726-63-7
Name: 4-Hydroxymethyl-nicotinic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 72726-63-7 (4-Hydroxymethyl-nicotinic acid)
Formula: C7H7NO3
Molecular Weight: 153.137
Synonyms: 4-HYDROXYMETHYL-3-PYRIDINECARBOXYLIC ACID;4-HYDROXYMETHYL-NICOTINIC ACID;3-Pyridinecarboxylicacid,4-(hydroxymethyl)-(9CI)
Density: 1.404 g/cm3
Boiling Point: 385.5 °C at 760 mmHg
Flash Point: 186.9 °C
PSA: 70.42000
LogP: 0.27210
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Specification

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