Acetic acid, (3-isoxazolylthio)- (9CI)
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Acetic acid, (3-isoxazolylthio)- (9CI)
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CAS No:
56796-05-5
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Formula:
C5H5NO3S
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Chemical Name:
Acetic acid, (3-isoxazolylthio)- (9CI)
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Synonyms:
2-(isoxazol-3-ylthio)acetic acid;CTK8J3738;ZINC39113055;(1,2-Oxazol-3-ylsulfanyl)acetic acid
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CAS No:
Computed Properties
Molecular Weight:159.17
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:158.99901420
Monoisotopic Mass:158.99901420
Topological Polar Surface Area:88.6
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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