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Propanoic acid, 3-(aminosulfonyl)-, methyl ester

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Name

Propanoic acid, 3-(aminosulfonyl)-, methyl ester

EINECS N/A
CAS No. 15441-08-4 Density 1.362 g/cm3
PSA 94.84000 LogP 0.61910
Solubility N/A Melting Point 69℃
Formula C4H9NO4S Boiling Point 312.292 °C at 760 mmHg
Molecular Weight 167.1836 Flash Point 142.669 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 15441-08-4 (3-SulfaMoyl-propionic acid Methyl ester) Hazard Symbols N/A
Synonyms

Methyl 3-(aminosulfonyl)propanoate;

 

Propanoic acid, 3-(aminosulfonyl)-, methyl ester Specification

The CAS registry number of Propanoic acid, 3-(aminosulfonyl)-, methyl ester is 15441-08-4. This chemical is also named as Methyl 3-(aminosulfonyl)propanoate. In addition, its molecular formula is C4H9NO4S and molecular weight is 167.1836. Its systematic name is called methyl 3-sulfamoylpropanoate.

Physical properties about Propanoic acid, 3-(aminosulfonyl)-, methyl ester are: (1)ACD/LogP: -0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 7; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 34.859 cm3; (14)Molar Volume: 122.755 cm3; (15)Surface Tension: 51.127 dyne/cm; (16)Density: 1.362 g/cm3; (17)Flash Point: 142.669 °C; (18)Enthalpy of Vaporization: 55.328 kJ/mol; (19)Boiling Point: 312.292 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCS(N)(=O)=O
(2)InChI: InChI=1/C4H9NO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3,(H2,5,7,8)
(3)InChIKey: ICTSDDRYJKMPGS-UHFFFAOYAL

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