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CAS No.: | 306936-43-6 |
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Name: | 2-METHYL-5-(1-PYRROLIDINYLSULFONYL)-3-FUROIC ACID |
Molecular Structure: | |
Formula: | C10H13NO5S |
Molecular Weight: | 259.28 |
Synonyms: | 2-methyl-5-(pyrrolidin-1-ylsulfonyl)furan-3-carboxylic acid; |
Density: | 1.451 g/cm3 |
Melting Point: | 185 °C |
Boiling Point: | 462.2 °C at 760 mmHg |
Flash Point: | 233.4 °C |
Hazard Symbols: | Xi |
PSA: | 96.20000 |
LogP: | 2.08940 |
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The 3-Furancarboxylic acid,2-methyl-5-(1-pyrrolidinylsulfonyl)-, with the CAS registry number 306936-43-6, is also known as 2-Methyl-5-(1-pyrrolidinylsulfonyl)-3-furoic acid. This chemical's molecular formula is C10H13NO5S and molecular weight is 259.28. Its systematic name is called 2-methyl-5-(pyrrolidin-1-ylsulfonyl)furan-3-carboxylic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 3-Furancarboxylic acid,2-methyl-5-(1-pyrrolidinylsulfonyl)-: (1)ACD/LogP: 1.46; (2)ACD/LogD (pH 5.5): -0.41; (3)ACD/LogD (pH 7.4): -1.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.03; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 59.31 cm3; (13)Molar Volume: 178.6 cm3; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.451 g/cm3; (16)Flash Point: 233.4 °C; (17)Enthalpy of Vaporization: 76.2 kJ/mol; (18)Boiling Point: 462.2 °C at 760 mmHg; (19)Vapour Pressure: 2.42E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(oc(c1)S(=O)(=O)N2CCCC2)C
(2)InChI: InChI=1/C10H13NO5S/c1-7-8(10(12)13)6-9(16-7)17(14,15)11-4-2-3-5-11/h6H,2-5H2,1H3,(H,12,13)
(3)InChIKey: QOGZFCGDYUTGTO-UHFFFAOYAI