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4880-87-9 | (8'aR)-1'-Acetyl-2',3',8',8'a-tetrahydro-5',6'-dimethoxyspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one
CAS No: 4880-87-9 Catalog No: AG00DOIX MDL No:
Product Description
Catalog Number:
AG00DOIX
Chemical Name:
(8'aR)-1'-Acetyl-2',3',8',8'a-tetrahydro-5',6'-dimethoxyspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one
CAS Number:
4880-87-9
IUPAC Name:
(4R)-5-acetyl-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
InChI:
InChI=1S/C20H21NO4/c1-12(22)21-9-6-13-10-16(24-2)19(25-3)18-17(13)15(21)11-20(18)7-4-14(23)5-8-20/h4-5,7-8,10,15H,6,9,11H2,1-3H3/t15-/m1/s1
InChI Key:
QHDTTYCECGBECX-OAHLLOKOSA-N
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
339.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.391g/mol
Monoisotopic Mass:
339.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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