(3aR,7aS)-rel-hexahydro-4,7-Ethano-1H-isoindole-1,3(2H)-dione (Relative stereocheMistry)
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(3aR,7aS)-rel-hexahydro-4,7-Ethano-1H-isoindole-1,3(2H)-dione (Relative stereocheMistry)
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CAS No:
85922-86-7
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Formula:
C10H13NO2
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Chemical Name:
(3aR,7aS)-rel-hexahydro-4,7-Ethano-1H-isoindole-1,3(2H)-dione (Relative stereocheMistry)
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Synonyms:
CIS-4-azatricyclo[5.2.2.0^{2,6}]undecane-3,5- dione;CIS-4-Azatricyclo[5.2.2.0 {2,6}]undecane-3,5- dione;DTXSID60574853;KS-00002B7G;0895AF;MFCD22126132;ZINC34593188;AKOS015991603;SS-4373;cis-4-Azatricyclo[5.2.2.0 {2,6}]undecane-3,5-dione
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CAS No:
(3aR,7aS)-rel-hexahydro-4,7-Ethano-1H-isoindole-1,3(2H)-dione (Relative stereocheMistry) Basic Attributes
179.21572
179.095
DTXSID60574853
2925290090
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:179.22
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:179.094628657
Monoisotopic Mass:179.094628657
Topological Polar Surface Area:46.2
Heavy Atom Count:13
Complexity:251
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(3aR,7aS)-rel-hexahydro-4,7-Ethano-1H-isoindole-1,3(2H)-dione (Relative stereocheMistry)
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