3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]-2-furyl}-4-methylbenzoic acid
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![3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]-2-furyl}-4-methylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eb89a8e8e89d4c159c96c06ce8b2dfe4.png "3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]-2-furyl}-4-methylbenzoic acid")
3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]-2-furyl}-4-methylbenzoic acid
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CAS No:
445405-10-7
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Formula:
C22H20O7
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Chemical Name:
3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]-2-furyl}-4-methylbenzoic acid
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Synonyms:
3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]-2-furyl}-4-methylbenzoic acid;AM-879/15039166;ZINC977347;STL297042;AKOS001661638;MCULE-7311969047;3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
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CAS No:
3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]-2-furyl}-4-methylbenzoic acid Basic Attributes
396.39
396.121
Computed Properties
Molecular Weight:396.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:396.12090297
Monoisotopic Mass:396.12090297
Topological Polar Surface Area:103
Heavy Atom Count:29
Complexity:684
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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