(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
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![(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/35ddf37a2721464abbb89de09278e5c4.png "(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid")
(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
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CAS No:
58096-27-8
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Formula:
C11H18O2
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Chemical Name:
(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
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Synonyms:
Bicyclo[3.1.1]heptane-3-carboxylic acid,2,6,6-trimethyl-,(1S,2S,3S,5R)-;Bicyclo[3.1.1]heptane-3-carboxylic acid,2,6,6-trimethyl-,[1S-(1α,2β,3α,5α)]-;(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid;(+)-3-Pinanecarboxylic acid
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CAS No:
(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid Basic Attributes
182.26 g/mol
182.26
261-115-1
Computed Properties
Molecular Weight:182.26
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:182.130679813
Monoisotopic Mass:182.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:245
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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