3-phenyl-2-sulfanylidenepropanoic acid
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3-phenyl-2-sulfanylidenepropanoic acid
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CAS No:
5416-07-9
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Formula:
C9H8O2S
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Chemical Name:
3-phenyl-2-sulfanylidenepropanoic acid
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Synonyms:
CHEMBL3798514;5416-07-9;3-phenyl-2-thioxopropanoic acid;NSC11339;3-phenyl-2-sulfanylidenepropanoic acid;SCHEMBL6723396;ZINC97572;DTXSID10279129;BDBM50167962;NSC-11339;NSC117410;NSC-117410
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CAS No:
3-phenyl-2-sulfanylidenepropanoic acid Basic Attributes
180.23 g/mol
180.02450067 g/mol
117410|11339
DTXSID10279129
Computed Properties
Molecular Weight:180.23
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.02450067
Monoisotopic Mass:180.02450067
Topological Polar Surface Area:69.4
Heavy Atom Count:12
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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