3-thiocyanatobenzoic acid
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3-thiocyanatobenzoic acid
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CAS No:
16671-87-7
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Formula:
C8H5NO2S
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Chemical Name:
3-thiocyanatobenzoic acid
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Synonyms:
BENZOIC ACID, m-THIOCYANO-;16671-87-7;m-Thiocyanobenzoic acid;Kyselina m-thiokyanatobenzoova [Czech];BRN 3247509;Kyselina m-thiokyanatobenzoova;3-Thiocyanobenzoic acid;3-10-00-00270 (Beilstein Handbook Reference);SCHEMBL7046156;DTXSID50168164
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CAS No:
Computed Properties
Molecular Weight:179.20
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:179.00409958
Monoisotopic Mass:179.00409958
Topological Polar Surface Area:86.4
Heavy Atom Count:12
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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