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34029-94-2 | (7R)-6,7,7aβ,8-Tetrahydro-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-12-ol 7-oxide
CAS No: 34029-94-2 Catalog No: AG00D1JQ MDL No:
Product Description
Catalog Number:
AG00D1JQ
Chemical Name:
(7R)-6,7,7aβ,8-Tetrahydro-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-12-ol 7-oxide
CAS Number:
34029-94-2
IUPAC Name:
(11R,12R)-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
InChI:
InChI=1S/C18H17NO4/c1-19(21)6-5-11-8-14-18(23-9-22-14)17-15(11)12(19)7-10-3-2-4-13(20)16(10)17/h2-4,8,12,20H,5-7,9H2,1H3/t12-,19-/m1/s1
InChI Key:
KBLBAGBORDBOPT-CWTRNNRKSA-N
UNII:
MCN6QK3FK3
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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