2-[[(1R,2S)-4-[(2R)-1-hydroxypropan-2-yl]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
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![2-[[(1R,2S)-4-[(2R)-1-hydroxypropan-2-yl]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/76425eb1061e4e43b48831313af049e4.png "2-[[(1R,2S)-4-[(2R)-1-hydroxypropan-2-yl]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid")
2-[[(1R,2S)-4-[(2R)-1-hydroxypropan-2-yl]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
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CAS No:
99827-44-8
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Formula:
C18H24O5
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Chemical Name:
2-[[(1R,2S)-4-[(2R)-1-hydroxypropan-2-yl]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
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Synonyms:
99827-44-8;2-(((1R,2S)-4-((2R)-1-Hydroxypropan-2-yl)-1-methyl-7-oxabicyclo(2.2.1)heptan-2-yl)oxymethyl)benzoic acid;Benzoic acid, 2-(((4-(2-hydroxy-1-methylethyl)-1-methyl-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, (1alpha,2alpha,4alpha,4(R*))-
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CAS No:
2-[[(1R,2S)-4-[(2R)-1-hydroxypropan-2-yl]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid Basic Attributes
320.4 g/mol
320.16237386 g/mol
Computed Properties
Molecular Weight:320.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:320.16237386
Monoisotopic Mass:320.16237386
Topological Polar Surface Area:76
Heavy Atom Count:23
Complexity:453
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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