Trimethyl-3,4-dihydrochebulate
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Trimethyl-3,4-dihydrochebulate
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CAS No:
154702-77-9
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Formula:
C17H16O11
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Chemical Name:
Trimethyl-3,4-dihydrochebulate
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Synonyms:
2-Butenedioic acid,2-[(3S,4R)-3,4-dihydro-5,6,7-trihydroxy-3-(methoxycarbonyl)-1-oxo-1H-2-benzopyran-4-yl]-,1,4-dimethyl ester,(2Z)-;2-Butenedioic acid,2-[3,4-dihydro-5,6,7-trihydroxy-3-(methoxycarbonyl)-1-oxo-1H-2-benzopyran-4-yl]-,dimethyl ester,[3S-[3α,4β(Z)]]-;2-Butenedioic acid,2-[(3S,4R)-3,4-dihydro-5,6,7-trihydroxy-3-(methoxycarbonyl)-1-oxo-1H-2-benzopyran-4-yl]-,dimethyl ester,(2Z)-;Trimethyl-3,4-dihydrochebulate
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CAS No:
Computed Properties
Molecular Weight:396.3
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:396.06926132
Monoisotopic Mass:396.06926132
Topological Polar Surface Area:166
Heavy Atom Count:28
Complexity:685
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes