(Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f3f0cf4015384669a67de93d7d8f93d0.png "(Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
structure -
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CAS No:
573697-61-7
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Formula:
C13H11N3O4S
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Chemical Name:
(Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
ZINC6129888;AKOS032384645;573697-61-7
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CAS No:
(Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
305.31 g/mol
305.04702701 g/mol
Computed Properties
Molecular Weight:305.31
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:305.04702701
Monoisotopic Mass:305.04702701
Topological Polar Surface Area:123
Heavy Atom Count:21
Complexity:434
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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