3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid
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3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid
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CAS No:
176909-92-5
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Formula:
C8H11NO3
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Chemical Name:
3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid
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Synonyms:
1,2-Benzisoxazole-3-carboxylic acid,3a,4,5,6,7,7a-hexahydro-;3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid
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CAS No:
Computed Properties
Molecular Weight:169.18
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:169.07389321
Monoisotopic Mass:169.07389321
Topological Polar Surface Area:58.9
Heavy Atom Count:12
Complexity:237
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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