3-METHYL-2-(TOLUENE-4-SULFONYLAMINO)-BUTYRIC ACID
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3-METHYL-2-(TOLUENE-4-SULFONYLAMINO)-BUTYRIC ACID
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CAS No:
17360-25-7
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Formula:
C12H17NO4S
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Chemical Name:
3-METHYL-2-(TOLUENE-4-SULFONYLAMINO)-BUTYRIC ACID
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Synonyms:
3-METHYL-2-([(4-METHYLPHENYL)SULFONYL]AMINO)BUTANOIC ACID;3-METHYL-2-(TOLUENE-4-SULFONYLAMINO)-BUTYRIC ACID;(2S)-3-methyl-2-(4-methylbenzenesulfonamido)butanoic acid;L-Valine, N-[(4-methylphenyl)sulfonyl]-;(S)-3-Methyl-2-(4-methylbenzenesulfonamido)butanoic acid;(S)-3-methyl-2-(4-methylphenylsulfonamido)butanoic acid
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CAS No:
3-METHYL-2-(TOLUENE-4-SULFONYLAMINO)-BUTYRIC ACID Basic Attributes
271.33
271.08782920 g/mol
KX49VS36SI
Characteristics
91.85000
2.85420
1.246±0.06 g/cm3(Predicted)
147 °C
439.9±55.0 °C(Predicted)
219.9ºC
1.542
1.63E-08mmHg at 25°C
3.45±0.10(Predicted)
Computed Properties
Molecular Weight:271.33
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:271.08782920
Monoisotopic Mass:271.08782920
Topological Polar Surface Area:91.8
Heavy Atom Count:18
Complexity:377
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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