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Home > Other Heterocycles > 89368-40-1

89368-40-1

89368-40-1 | 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-2-ol

CAS No: 89368-40-1 Catalog No: AG003YW2 MDL No:

Product Description

Catalog Number:
AG003YW2
Chemical Name:
3-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-2-ol
CAS Number:
89368-40-1
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-ol
InChI:
InChI=1S/C16H25NO/c1-13-9-6-4-2-3-5-7-10-14-11-8-12-15(17-14)16(13)18/h8,11-13,16,18H,2-7,9-10H2,1H3
InChI Key:
XEKNCTZVXNUNGM-UHFFFAOYSA-N
SMILES:
OC1C(C)CCCCCCCCc2nc1ccc2

Properties

Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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