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122590-03-8 | Spiro[3H-indole-3,8'(7'H)-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one, 3'-ethylidene-1',2',3',4',4'a,5',9',9'a-octahydro-6-hydroxy-1-methoxy-, (3S,3'Z,4'R,4'aS,7'R,9'aS)-
CAS No: 122590-03-8 Catalog No: AG0017I9 MDL No:MFCD28016425
Product Description
Catalog Number:
AG0017I9
Chemical Name:
Spiro[3H-indole-3,8'(7'H)-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one, 3'-ethylidene-1',2',3',4',4'a,5',9',9'a-octahydro-6-hydroxy-1-methoxy-, (3S,3'Z,4'R,4'aS,7'R,9'aS)-
CAS Number:
122590-03-8
MDL Number:
MFCD28016425
IUPAC Name:
(7Z)-7-ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
InChI:
InChI=1S/C20H24N2O4/c1-3-11-9-21-16-8-20(18-7-13(11)14(16)10-26-18)15-5-4-12(23)6-17(15)22(25-2)19(20)24/h3-6,13-14,16,18,21,23H,7-10H2,1-2H3/b11-3+
InChI Key:
FALAMCOLIJTCTR-QDEBKDIKSA-N
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
356.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.422g/mol
Monoisotopic Mass:
356.174g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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