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Home > Indoles and Oxindole > 1020719-96-3
1020719-96-3 | 1H-Isoindole-1,3(2H)-dione-4,5,6,7-d4, 3a,4,7,7a-tetrahydro-4,7-d2-
CAS No: 1020719-96-3 Catalog No: AG0006K7 MDL No:
Product Description
Catalog Number:
AG0006K7
Chemical Name:
1H-Isoindole-1,3(2H)-dione-4,5,6,7-d4, 3a,4,7,7a-tetrahydro-4,7-d2-
CAS Number:
1020719-96-3
Molecular Formula:
C8H3D6NO2
Molecular Weight:
157.1995
IUPAC Name:
4,4,5,6,7,7-hexadeuterio-3a,7a-dihydroisoindole-1,3-dione
InChI:
InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/i1D,2D,3D2,4D2
InChI Key:
CIFFBTOJCKSRJY-TZCZJOIZSA-N
SMILES:
C1([2H])([2H])C(=C([2H])C(C2C1C(=O)NC2=O)([2H])[2H])[2H]
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.101g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
6
Molecular Weight:
157.202g/mol
Monoisotopic Mass:
157.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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