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15121-15-0 | Dibenz[d,f]indol-12-ol, 1,2,3,4,5,6,7,7a,8,12b-decahydro-11-methoxy-7-methyl-
CAS No: 15121-15-0 Catalog No: AG001N68 MDL No:
Product Description
Catalog Number:
AG001N68
Chemical Name:
Dibenz[d,f]indol-12-ol, 1,2,3,4,5,6,7,7a,8,12b-decahydro-11-methoxy-7-methyl-
CAS Number:
15121-15-0
Molecular Formula:
C18H25NO2
Molecular Weight:
287.3966
IUPAC Name:
11-methoxy-7-methyl-2,3,4,5,6,7a,8,12b-octahydro-1H-phenanthro[9,8a-b]pyrrol-12-ol
InChI:
InChI=1S/C18H25NO2/c1-19-10-9-18-8-4-3-5-13(18)16-12(11-15(18)19)6-7-14(21-2)17(16)20/h6-7,13,15,20H,3-5,8-11H2,1-2H3
InChI Key:
BBNVOJCAVLPVCC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1O)C1CCCCC31C(C2)N(CC3)C
NSC Number:
157906
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.403g/mol
Monoisotopic Mass:
287.189g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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