methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate
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![methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/83ed1faec9494755b49070982fa2d957.png "methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate")
methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate
structure -
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CAS No:
40317-63-3
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Formula:
C11H12O2
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Chemical Name:
methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate
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Synonyms:
4-Carbomethoxyhomocubane;40317-63-3;methyl pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane-4-carboxylate;DTXSID00960751;AKOS024321628;MCULE-5765351696
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CAS No:
methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate Basic Attributes
176.21 g/mol
176.083729621 g/mol
Computed Properties
Molecular Weight:176.21
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:176.083729621
Monoisotopic Mass:176.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:341
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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