4-[(Z)-(4-methoxycarbonyl-1,5-dimethyl-2-oxopyrrol-3-ylidene)methyl]benzoic acid
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![4-[(Z)-(4-methoxycarbonyl-1,5-dimethyl-2-oxopyrrol-3-ylidene)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dfee8d33bc2e400383e0d1010be759dc.png "4-[(Z)-(4-methoxycarbonyl-1,5-dimethyl-2-oxopyrrol-3-ylidene)methyl]benzoic acid")
4-[(Z)-(4-methoxycarbonyl-1,5-dimethyl-2-oxopyrrol-3-ylidene)methyl]benzoic acid
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CAS No:
371202-89-0
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Formula:
C16H15NO5
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Chemical Name:
4-[(Z)-(4-methoxycarbonyl-1,5-dimethyl-2-oxopyrrol-3-ylidene)methyl]benzoic acid
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Synonyms:
4-{(Z)-[4-(methoxycarbonyl)-1,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid;ZINC108132;STK168455;AKOS001671994;MCULE-1203157882;371202-89-0
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CAS No:
4-[(Z)-(4-methoxycarbonyl-1,5-dimethyl-2-oxopyrrol-3-ylidene)methyl]benzoic acid Basic Attributes
301.29 g/mol
301.09502258 g/mol
Computed Properties
Molecular Weight:301.29
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:301.09502258
Monoisotopic Mass:301.09502258
Topological Polar Surface Area:83.9
Heavy Atom Count:22
Complexity:567
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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