2-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]sulfanylbenzoic acid
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![2-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]sulfanylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5cb9f02e9e4241d08597d063579ff212.png "2-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]sulfanylbenzoic acid")
2-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]sulfanylbenzoic acid
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CAS No:
721422-31-7
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Formula:
C18H12N2O3S2
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Chemical Name:
2-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]sulfanylbenzoic acid
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Synonyms:
Z55547467;2-{[3-cyano-3-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-2-oxopropyl]sulfanyl}benzoic acid;721422-31-7
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CAS No:
2-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]sulfanylbenzoic acid Basic Attributes
368.4 g/mol
368.02893460 g/mol
Computed Properties
Molecular Weight:368.4
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:368.02893460
Monoisotopic Mass:368.02893460
Topological Polar Surface Area:148
Heavy Atom Count:25
Complexity:586
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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