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Home > Indoles and Oxindole > 76970-77-9
76970-77-9 | hexahydro-3a,7a-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione
CAS No: 76970-77-9 Catalog No: AG00GD4J MDL No:
Product Description
Catalog Number:
AG00GD4J
Chemical Name:
hexahydro-3a,7a-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione
CAS Number:
76970-77-9
IUPAC Name:
3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C10H13NO3/c1-9-5-3-4-6(14-5)10(9,2)8(13)11-7(9)12/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChI Key:
PHOUKBDDOYWEMY-UHFFFAOYSA-N
NSC Number:
115498
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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