4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-,(3aR,4S,7R,7aS)-rel-


Chemical Name: 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-,(3aR,4S,7R,7aS)-rel-
CAS Number: 14805-29-9
Product Number: AG001FE4(AGN-PC-0Q19PU)
Synonyms:
MDL No: MFCD12964181
Molecular Formula: C9H11NO2
Molecular Weight: 165.1891

Identification/Properties


Computed Properties
Molecular Weight:
165.192g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
165.079g/mol
Monoisotopic Mass:
165.079g/mol
Topological Polar Surface Area:
46.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
248
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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