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116240-08-5 | Cinnoline, decahydro-2-methyl-4a-[2-(phenylmethoxy)phenyl]-
CAS No: 116240-08-5 Catalog No: AG000C0H MDL No:
Product Description
Catalog Number:
AG000C0H
Chemical Name:
Cinnoline, decahydro-2-methyl-4a-[2-(phenylmethoxy)phenyl]-
CAS Number:
116240-08-5
Molecular Formula:
C22H28N2O
Molecular Weight:
336.4705
IUPAC Name:
2-methyl-4a-(2-phenylmethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydrocinnoline
InChI:
InChI=1S/C22H28N2O/c1-24-16-15-22(14-8-7-13-21(22)23-24)19-11-5-6-12-20(19)25-17-18-9-3-2-4-10-18/h2-6,9-12,21,23H,7-8,13-17H2,1H3
InChI Key:
VKIZVAFTGYXXBR-UHFFFAOYSA-N
SMILES:
CN1CCC2(C(N1)CCCC2)c1ccccc1OCc1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.22g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.479g/mol
Monoisotopic Mass:
336.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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