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828249-45-2 | 5,7-Methanoquinoline, 5,6,7,8-tetrahydro-2,6,6,8-tetramethyl-,(5R,7R,8S)-
CAS No: 828249-45-2 Catalog No: AG00568Z MDL No:
Product Description
Catalog Number:
AG00568Z
Chemical Name:
5,7-Methanoquinoline, 5,6,7,8-tetrahydro-2,6,6,8-tetramethyl-,(5R,7R,8S)-
CAS Number:
828249-45-2
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
(1R,8S,9R)-5,8,10,10-tetramethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
InChI:
InChI=1S/C14H19N/c1-8-5-6-10-12-7-11(14(12,3)4)9(2)13(10)15-8/h5-6,9,11-12H,7H2,1-4H3/t9-,11+,12-/m0/s1
InChI Key:
UUGLPRPECXJONI-WCQGTBRESA-N
SMILES:
Cc1ccc2c(n1)[C@@H](C)[C@H]1C[C@@H]2C1(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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