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1086380-07-5

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Basic Information
CAS No.: 1086380-07-5
Name: 2-(METHOXYMETHYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 1086380-07-5 (2-(METHOXYMETHYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID)
Formula: C6H7NO3S
Molecular Weight: 173.19
Synonyms: 2-(methoxymethyl)thiazole-4-carboxylic acid;2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid;
Density: 1.398 g/cm3
Boiling Point: 316.2 °C at 760 mmHg
Flash Point: 145 °C
PSA: 87.66000
LogP: 0.98770
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Specification

The Cyclopropanecarboximidic acid ethyl ester, with the CAS registry number 1086380-07-5, has the systematic name of 2-(methoxymethyl)thiazole-4-carboxylic acid. The molecular formula of the chemical is C6H7NO3S. And it belongs to the following product categories: Thiazole series; Carboxylic Acids; Thiazoles, Isothiazoles &Benzothiazoles; Carboxylic Acids; Thiazoles, Isothiazoles & Benzothiazoles.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 87.66 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 40.95 cm3; (9)Molar Volume: 123.8 cm3; (10)Polarizability: 16.23×10-24cm3; (11)Surface Tension: 58.8 dyne/cm; (12)Density: 1.398 g/cm3; (13)Flash Point: 145 °C; (14)Enthalpy of Vaporization: 58.86 kJ/mol; (15)Boiling Point: 316.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000175 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COCc1nc(cs1)C(=O)O
(2)InChI: InChI=1/C6H7NO3S/c1-10-2-5-7-4(3-11-5)6(8)9/h3H,2H2,1H3,(H,8,9)
(3)InChIKey: PIAYLONXKHUMGZ-UHFFFAOYAD