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775545-30-7

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Basic Information
CAS No.: 775545-30-7
Name: 3-Pyridinecarboxylic acid, 6-(hydroxymethyl)- (9CI)
Article Data: 4
Molecular Structure:
Molecular Structure of 775545-30-7 (3-Pyridinecarboxylic acid, 6-(hydroxymethyl)- (9CI))
Formula: C7H7NO3
Molecular Weight: 153.137
Synonyms: 6-(Hydroxymethyl)pyridine-3-carboxylic acid;
Density: 1.405 g/cm3
Boiling Point: 369.551 °C at 760 mmHg
Flash Point: 177.299 °C
PSA: 70.42000
LogP: 0.27210
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Specification

The CAS registry number of 3-Pyridinecarboxylicacid, 6-(hydroxymethyl)- is 775545-30-7. It belongs to the product categories of Methyl; Aldehyde; Carboxylicacid. This chemical's molecular formula is C7H7NO3 and molecular weight is 153.1354. What's more, its systematic name is called 6-(Hydroxymethyl)pyridine-3-carboxylic acid.

Physical properties about 3-Pyridinecarboxylicacid, 6-(hydroxymethyl)- are: (1)ACD/LogP: -0.43; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 70.42 Å2; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 37.725 cm3; (13)Molar Volume: 109.003 cm3; (14)Polarizability: 14.956×10-24 cm3 ; (15)Surface Tension: 71.611 dyne/cm; (16)Density: 1.405 g/cm3; (17)Flash Point: 177.299 °C; (18)Enthalpy of Vaporization: 65.024 kJ/mol; (19)Boiling Point: 369.551 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1ccc(cn1)C(O)=O
(2) InChI: InChI=1/C7H7NO3/c9-4-6-2-1-5(3-8-6)7(10)11/h1-3,9H,4H2,(H,10,11)
(3) InChIKey: HJDYJONTIWRYOB-UHFFFAOYAH