CAS No.387350-60-9,2-METHYL-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID MONOHYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	387350-60-9
Name:	2-METHYL-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID MONOHYDRATE
Article Data:	4

Formula:	C₁₀H₁₀N₂O₃
Molecular Weight:	188.186
Synonyms:	2-Methyl-1,8-naphthyridine-3-carboxylicacid;1,8-naphthyridine-3-carboxylic acid, 2-methyl-;
Density:	1.355 g/cm³
Melting Point:	191-195 °C
Boiling Point:	356.3 °C at 760 mmHg
Flash Point:	169.3 °C
Hazard Symbols:	Xi
PSA:	63.08000
LogP:	1.63640

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Specification

The 1,8-Naphthyridine-3-carboxylicacid, 2-methyl-, with the CAS registry number 387350-60-9, has the systemtic name of 2-methyl-1,8-naphthyridine-3-carboxylic acid. It belongs to the product category of Naphthyridine. And the molecular formula of this chemical is C₁₀H₁₀N₂O₃.

The physical properties of 1,8-Naphthyridine-3-carboxylicacid, 2-methyl- are as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -2.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 52.03 cm³; (15)Molar Volume: 138.8 cm³; (16)Polarizability: 20.62×10^-24cm³; (17)Surface Tension: 68.4 dyne/cm; (18)Density: 1.355 g/cm³; (19)Flash Point: 169.3 °C; (20)Enthalpy of Vaporization: 63.48 kJ/mol; (21)Boiling Point: 356.3 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc1c(nccc1)nc2C
(2)InChI: InChI=1/C10H8N2O2/c1-6-8(10(13)14)5-7-3-2-4-11-9(7)12-6/h2-5H,1H3,(H,13,14)
(3)InChIKey: STQOBEMCYUGNTL-UHFFFAOYAC