(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enoic acid
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![(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0be99e055e67488eab953f719bd3bcc5.png "(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enoic acid")
(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enoic acid
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CAS No:
577698-78-3
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Formula:
C12H11N3O2S
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Chemical Name:
(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enoic acid
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Synonyms:
ZINC9328261;STL053894;AKOS005706929;AKOS032385989;(2Z)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-phenylprop-2-enoate;577698-78-3
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CAS No:
(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enoic acid Basic Attributes
261.30 g/mol
261.05719778 g/mol
Computed Properties
Molecular Weight:261.30
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:261.05719778
Monoisotopic Mass:261.05719778
Topological Polar Surface Area:104
Heavy Atom Count:18
Complexity:329
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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