2-(1,1-Dimethylethyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid
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2-(1,1-Dimethylethyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid
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CAS No:
436811-02-8
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Formula:
C13H17NO4
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Chemical Name:
2-(1,1-Dimethylethyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid
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Synonyms:
3a,6-Epoxy-3aH-isoindole-7-carboxylic acid,2-(1,1-dimethylethyl)-1,2,3,6,7,7a-hexahydro-1-oxo-;2-(1,1-Dimethylethyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid
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CAS No:
2-(1,1-Dimethylethyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid Basic Attributes
251.27800
251.28
DTXSID20389960
Computed Properties
Molecular Weight:251.28
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:251.11575802
Monoisotopic Mass:251.11575802
Topological Polar Surface Area:66.8
Heavy Atom Count:18
Complexity:464
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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