3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]benzoic acid
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![3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f69b1ab786174478b7bc0f4f52570535.png "3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]benzoic acid")
3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]benzoic acid
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CAS No:
577789-80-1
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Formula:
C17H13N3O5S
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Chemical Name:
3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]benzoic acid
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Synonyms:
MurA-IN-1;577789-80-1;3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]benzoic acid;CHEMBL4079255;ZINC6129841;STL049779;AKOS005702646;AKOS032385913;(2E)-3-[5-(3-carboxyphenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
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CAS No:
3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]benzoic acid Basic Attributes
371.4 g/mol
371.05759170 g/mol
Computed Properties
Molecular Weight:371.4
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:371.05759170
Monoisotopic Mass:371.05759170
Topological Polar Surface Area:155
Heavy Atom Count:26
Complexity:573
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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