5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid
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![5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d10fcfb8f19241ae8d6ecbc82b98f083.png "5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid")
5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid
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CAS No:
681855-76-5
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Formula:
C21H19ClO7
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Chemical Name:
5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid
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Synonyms:
MLS000778248;SMR000414974;5-[5-(2-Butyl-2-methyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-furan-2-yl]-2-chloro-benzoic acid;5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid;5-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-2-chlorobenzoic acid;CHEMBL1345754;BDBM60800;cid_1854790;HMS2753I04;ZINC2222643;STK796740;AKOS001655697;MCULE-5668417875;5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furanyl]-2-chlorobenzoic acid;5-[5-[(2-butyl-4,6-diketo-2-methyl-1,3-dioxan-5-ylidene)methyl]-2-furyl]-2-chloro-benzoic acid;5-[5-[[2-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]furan-2-yl]-2-chloranyl-benzoic acid;5-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furyl}-2-chlorobenzoic acid;681855-76-5
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CAS No:
5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid Basic Attributes
418.8 g/mol
418.0819306 g/mol
Computed Properties
Molecular Weight:418.8
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:418.0819306
Monoisotopic Mass:418.0819306
Topological Polar Surface Area:103
Heavy Atom Count:29
Complexity:669
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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