Butanoic acid, 4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxo-, methyl ester, (4E)- (9CI)
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Butanoic acid, 4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxo-, methyl ester, (4E)- (9CI)
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CAS No:
351069-92-6
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Formula:
C9H8O6
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Chemical Name:
Butanoic acid, 4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxo-, methyl ester, (4E)- (9CI)
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Synonyms:
Methyl (4E)-4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxobutanoate;ZINC39097329;(E)-Methyl 4-(4-hydroxy-5-oxofuran-2(5H)-ylidene)-3-oxobutanoate
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CAS No:
Butanoic acid, 4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxo-, methyl ester, (4E)- (9CI) Basic Attributes
212.15622
212.032
Computed Properties
Molecular Weight:212.16
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:212.03208797
Monoisotopic Mass:212.03208797
Topological Polar Surface Area:89.9
Heavy Atom Count:15
Complexity:376
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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