CAS No.10128-72-0,METHYL 3-HYDROXYISONICOTINATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10128-72-0
Name:	METHYL 3-HYDROXYISONICOTINATE
Article Data:	9

Formula:	C₇H₇NO₃
Molecular Weight:	153.137
Synonyms:	Isonicotinicacid, 3-hydroxy-, methyl ester (7CI,8CI);3-Hydroxypyridine-4-carboxylic acid methyl ester;
Density:	1.287 g/cm³
Melting Point:	74-76 °C
Boiling Point:	313.557 °C at 760 mmHg
Flash Point:	143.434 °C
Risk Codes:	20/22
Safety:	36/37
PSA:	59.42000
LogP:	0.57380

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Specification

The 4-Pyridinecarboxylicacid, 3-hydroxy-, methyl ester, with the CAS registry number 10128-72-0, is also known as 3-Hydroxypyridine-4-carboxylic acid methyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₇H₇NO₃ and molecular weight is 153.14. What's more, its IUPAC name is Methyl 3-hydroxypyridine-4-carboxylate. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Pyridinecarboxylicacid, 3-hydroxy-, methyl ester are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 169; (8)ACD/KOC (pH 7.4): 142; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.42 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 37.999 cm³; (15)Molar Volume: 118.98 cm³; (16)Polarizability: 15.064×10^-24 cm³; (17)Surface Tension: 53.17 dyne/cm; (18)Density: 1.287 g/cm³; (19)Flash Point: 143.434 °C; (20)Enthalpy of Vaporization: 57.675 kJ/mol; (21)Boiling Point: 313.557 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccncc1O
(2) InChI: InChI=1/C7H7NO3/c1-11-7(10)5-2-3-8-4-6(5)9/h2-4,9H,1H3
(3) InChIKey: OJRUFSZEJPZKQV-UHFFFAOYAR