4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanoic acid
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4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanoic acid
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CAS No:
65726-67-2
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Formula:
C14H12O4S
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Chemical Name:
4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanoic acid
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Synonyms:
65726-67-2;Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-;NSC269979;CHEMBL98758;DTXSID30313397;NSC-269979;4-[(1,4-dioxo-2-naphthyl)sulfanyl]butanoic acid
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CAS No:
4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanoic acid Basic Attributes
276.31 g/mol
276.04563003 g/mol
269979
DTXSID30313397
Computed Properties
Molecular Weight:276.31
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:276.04563003
Monoisotopic Mass:276.04563003
Topological Polar Surface Area:96.7
Heavy Atom Count:19
Complexity:427
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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