6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
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![6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7d5dc64dda214c618a8acf0ca637ab24.png "6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid")
6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
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CAS No:
76198-24-8
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Formula:
C10H16O2
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Chemical Name:
6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
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Synonyms:
76198-24-8;NSC28949;Pinane-10-oic acid;DTXSID90282954;NSC-28949;6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
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CAS No:
6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid Basic Attributes
168.23 g/mol
168.115029749 g/mol
28949
DTXSID90282954
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:168.23
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:168.115029749
Monoisotopic Mass:168.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:220
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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