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16117-45-6 | Phenanthridine, 1,2,3,4,4a,5,6,10b-octahydro-9-methoxy-10b-methyl-, hydrochloride (1:1)
CAS No: 16117-45-6 Catalog No: AG001S8H MDL No:
Product Description
Catalog Number:
AG001S8H
Chemical Name:
Phenanthridine, 1,2,3,4,4a,5,6,10b-octahydro-9-methoxy-10b-methyl-, hydrochloride (1:1)
CAS Number:
16117-45-6
Molecular Formula:
C15H22ClNO
Molecular Weight:
267.7943
IUPAC Name:
9-methoxy-10b-methyl-2,3,4,4a,5,6-hexahydro-1H-phenanthridine;hydrochloride
InChI:
InChI=1S/C15H21NO.ClH/c1-15-8-4-3-5-14(15)16-10-11-6-7-12(17-2)9-13(11)15;/h6-7,9,14,16H,3-5,8,10H2,1-2H3;1H
InChI Key:
GQJLNPPFLJOVIN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C1(C)CCCCC1NC2.Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.139g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.797g/mol
Monoisotopic Mass:
267.139g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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