8-(7-hexyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl)octanoic acid
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8-(7-hexyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl)octanoic acid
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CAS No:
6935-55-3
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Formula:
C22H34O5
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Chemical Name:
8-(7-hexyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl)octanoic acid
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Synonyms:
6935-55-3;NSC45075;8-(7-hexyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-yl)octanoic acid;SCHEMBL279449;DTXSID60286368;NSC-45075;8-(1,3-Dioxo-7-hexyl-1,3,3a,4,7,7a-hexahydroisobenzofuran-4-yl)octanoic acid;8-(7-Hexyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydroisobenzofuran-4-yl)octanoic acid
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CAS No:
8-(7-hexyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl)octanoic acid Basic Attributes
378.5 g/mol
378.24062418 g/mol
45075
DTXSID60286368
Computed Properties
Molecular Weight:378.5
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:378.24062418
Monoisotopic Mass:378.24062418
Topological Polar Surface Area:80.7
Heavy Atom Count:27
Complexity:539
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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