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100632-57-3

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Basic Information
CAS No.: 100632-57-3
Name: 4-[(4-Mesylamino)phenyl]-4-oxobutyric acid
Molecular Structure:
Molecular Structure of 100632-57-3 (4-[(4-Mesylamino)phenyl]-4-oxobutyric acid)
Formula: C11H13NO5S
Molecular Weight: 271.294
Synonyms: 4-[(4-Mesylamino)phenyl]-4-oxobutyric acid;4-[(Methylsulfonyl)amino]-gamma-oxo-benzenebutanoic acid;
Density: 1.434 g/cm3
Melting Point: 180-181 °C(Solv: methanol (67-56-1))
Boiling Point: 519.8 °C at 760 mmHg
Flash Point: 268.1 °C
PSA: 108.92000
LogP: 2.25940
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Specification

The 4-[(4-Mesylamino)phenyl]-4-oxobutyric acid, its cas register number is 100632-57-3. It also can be called as 4-[(Methylsulfonyl)amino]-gamma-oxo-benzenebutanoic acid and the Systematic name about this chemical is 4-{4-[(methylsulfonyl)amino]phenyl}-4-oxobutanoic acid.

Physical properties about 4-[(4-Mesylamino)phenyl]-4-oxobutyric acid are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 89.13Å2; (5)Index of Refraction: 1.593; (6)Molar Refractivity: 64.13 cm3; (7)Molar Volume: 189 cm3; (8)Polarizability: 25.42X10-24cm3; (9)Surface Tension: 64.5 dyne/cm; (10)Enthalpy of Vaporization: 83.44 kJ/mol; (11)Vapour Pressure: 1.25E-11 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccc(cc1)C(=O)CCC(=O)O)C
(2)InChI: InChI=1/C11H13NO5S/c1-18(16,17)12-9-4-2-8(3-5-9)10(13)6-7-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
(3)InChIKey: SJLUQBVGSCLNRB-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H13NO5S/c1-18(16,17)12-9-4-2-8(3-5-9)10(13)6-7-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
(5)Std. InChIKey: SJLUQBVGSCLNRB-UHFFFAOYSA-N