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Home > Indoles and Oxindole > 14166-29-1
14166-29-1 | 4,7-Epoxy-1H-isoindole-1,3(2H)-dione,2-(2,6-dioxo-3-piperidinyl)hexahydro-, (3aR,4S,7R,7aS)-rel-
CAS No: 14166-29-1 Catalog No: AG006XDV MDL No:
Product Description
Catalog Number:
AG006XDV
Chemical Name:
4,7-Epoxy-1H-isoindole-1,3(2H)-dione,2-(2,6-dioxo-3-piperidinyl)hexahydro-, (3aR,4S,7R,7aS)-rel-
CAS Number:
14166-29-1
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
IUPAC Name:
(3aR,4S,7R,7aS)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C13H14N2O5/c16-8-4-1-5(11(17)14-8)15-12(18)9-6-2-3-7(20-6)10(9)13(15)19/h5-7,9-10H,1-4H2,(H,14,16,17)/t5?,6-,7+,9-,10+
InChI Key:
HEGYGRPHQUGLAX-GXPKTZLTSA-N
SMILES:
O=C1CCC(C(=O)N1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1O[C@H]2CC1
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
278.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.264g/mol
Monoisotopic Mass:
278.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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