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| CAS No.: | 15441-10-8 |
|---|---|
| Name: | 3-(Aminosulfonyl)propanoic acid |
| Molecular Structure: | |
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| Formula: | C3H7NO4S |
| Molecular Weight: | 153.16 |
| Synonyms: | 3-(Aminosulphonyl)propanoic acid |
| Density: | 1.573g/cm3 |
| Boiling Point: | 407.802 °C at 760 mmHg |
| Flash Point: | 200.432 °C |
| PSA: | 105.84000 |
| LogP: | 0.53070 |
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Specification
The 3-(Aminosulfonyl)propanoic acid, with CAS registry number 15441-10-8, has the systematic name of 3-sulfamoylpropanoic acid. And the chemical formula of this chemical is C3H7NO4S. And its molecular weight is 153.16.
Physical properties of 3-(Aminosulfonyl)propanoic acid: (1)ACD/LogP: -1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -5; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 105.84 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 30.023 cm3; (15)Molar Volume: 97.391 cm3; (16)Polarizability: 11.902×10-24cm3; (17)Surface Tension: 73.875 dyne/cm; (18)Enthalpy of Vaporization: 72.388 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CCS(N)(=O)=O
(2)InChI: InChI=1/C3H7NO4S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H,5,6)(H2,4,7,8)
(3)InChIKey: GORVWJURYPIBBC-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C3H7NO4S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H,5,6)(H2,4,7,8)
(5)Std. InChIKey: GORVWJURYPIBBC-UHFFFAOYSA-N