4-[(5-Methyl-3-isoxazolyl)amino]-4-oxo-2-butenoic acid
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![4-[(5-Methyl-3-isoxazolyl)amino]-4-oxo-2-butenoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fd28824ab96445e8b6faea846a860602.png "4-[(5-Methyl-3-isoxazolyl)amino]-4-oxo-2-butenoic acid")
4-[(5-Methyl-3-isoxazolyl)amino]-4-oxo-2-butenoic acid
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CAS No:
306935-78-4
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Formula:
C8H8N2O4
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Chemical Name:
4-[(5-Methyl-3-isoxazolyl)amino]-4-oxo-2-butenoic acid
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Synonyms:
2-Butenoic acid,4-[(5-methyl-3-isoxazolyl)amino]-4-oxo-;4-[(5-Methyl-3-isoxazolyl)amino]-4-oxo-2-butenoic acid;β-(5-Methyl-3-isoxazolylamino)acrylic acid
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CAS No:
4-[(5-Methyl-3-isoxazolyl)amino]-4-oxo-2-butenoic acid Basic Attributes
196.16000
196.16
DTXSID60351762
2934999090
Computed Properties
Molecular Weight:196.16
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:196.04840674
Monoisotopic Mass:196.04840674
Topological Polar Surface Area:92.4
Heavy Atom Count:14
Complexity:264
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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