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Home > Indoles and Oxindole > 28871-95-6
28871-95-6 | 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-, (3aR,4R,7S,7aS)-rel-
CAS No: 28871-95-6 Catalog No: AG002WWY MDL No:MFCD13193124
Product Description
Catalog Number:
AG002WWY
Chemical Name:
4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-, (3aR,4R,7S,7aS)-rel-
CAS Number:
28871-95-6
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD13193124
IUPAC Name:
(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
InChI:
InChI=1S/C9H11NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h4-7H,1-3H2,(H,10,11,12)/t4-,5+,6-,7+
InChI Key:
RIVOBMOBWMOLDJ-UMRXKNAASA-N
SMILES:
O=C1NC(=O)[C@@H]2[C@H]1[C@@H]1CC[C@H]2C1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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