(Z)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(Z)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e5e34856394c4bc09b8b02ca7090b3b3.png "(Z)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(Z)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
741297-19-8
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Formula:
C16H15N3O4S
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Chemical Name:
(Z)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
ZINC5100243;STL049124;STL505140;AKOS005702266;AKOS030522099;(2Z)-3-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;(2Z)-3-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid;741297-19-8
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CAS No:
(Z)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
345.4 g/mol
345.07832714 g/mol
Computed Properties
Molecular Weight:345.4
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:345.07832714
Monoisotopic Mass:345.07832714
Topological Polar Surface Area:123
Heavy Atom Count:24
Complexity:519
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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