3-methyl-4-[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid
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![3-methyl-4-[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/aab7ccfdec0a4a01802a8844d7652891.png "3-methyl-4-[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid")
3-methyl-4-[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid
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CAS No:
99394-38-4
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Formula:
C21H28O4
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Chemical Name:
3-methyl-4-[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid
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Synonyms:
(9-cis,13-cis)-12-Carboxy Retinoic Acid;99394-38-4
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CAS No:
3-methyl-4-[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid Basic Attributes
344.4 g/mol
344.19875937 g/mol
Computed Properties
Molecular Weight:344.4
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:344.19875937
Monoisotopic Mass:344.19875937
Topological Polar Surface Area:74.6
Heavy Atom Count:25
Complexity:697
Undefined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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