2-(benzylsulfanylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
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2-(benzylsulfanylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
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CAS No:
7469-33-2
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Formula:
C17H17NO4S
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Chemical Name:
2-(benzylsulfanylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
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Synonyms:
NSC45713;NSC-45713;NSC401340;NSC-401340;2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid;7469-33-2
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CAS No:
2-(benzylsulfanylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid Basic Attributes
331.4 g/mol
331.08782920 g/mol
401340|45713
Computed Properties
Molecular Weight:331.4
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:331.08782920
Monoisotopic Mass:331.08782920
Topological Polar Surface Area:112
Heavy Atom Count:23
Complexity:390
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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