-
Name
METHYL 3-HYDROXYISONICOTINATE
- EINECS
- CAS No. 10128-72-0
- Article Data9
- CAS DataBase
- Density 1.287 g/cm3
- Solubility
- Melting Point 74-76 °C
- Formula C7H7NO3
- Boiling Point 313.557 °C at 760 mmHg
- Molecular Weight 153.137
- Flash Point 143.434 °C
- Transport Information
- Appearance
- Safety 36/37
- Risk Codes 20/22
-
Molecular Structure
- Hazard Symbols
- Synonyms Isonicotinicacid, 3-hydroxy-, methyl ester (7CI,8CI);3-Hydroxypyridine-4-carboxylic acid methyl ester;
- PSA 59.42000
- LogP 0.57380
Methyl 3-hydroxyisonicotinate 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
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