1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
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1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
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CAS No:
7403-22-7
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Formula:
C9H14O2
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Chemical Name:
1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
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Synonyms:
MLS003171528;7403-22-7;NSC403083;1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid;SCHEMBL504027;CHEMBL2360369;DTXSID60995342;NSC-403083;bicyclo[3.3.01octan-2-carboxylic acid;SMR001875411;OCTAHYDROPENTALENE-1-CARBOXYLIC ACID;Ethyl 4-methyl-2-(methylthio)thiazole-5-carboxylate
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CAS No:
1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid Basic Attributes
154.21 g/mol
154.099379685 g/mol
403083
Computed Properties
Molecular Weight:154.21
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:154.099379685
Monoisotopic Mass:154.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:176
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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