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119778-65-3 | 4-Quinolinecarboxylic acid, 2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 119778-65-3 Catalog No: AG000PNE MDL No:
Product Description
Catalog Number:
AG000PNE
Chemical Name:
4-Quinolinecarboxylic acid, 2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
119778-65-3
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
IUPAC Name:
2-(1-adamantyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C20H21NO2/c22-19(23)16-8-18(21-17-4-2-1-3-15(16)17)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11H2,(H,22,23)
InChI Key:
KNAZIYPYZIIYCN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1cccc2)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.393g/mol
Monoisotopic Mass:
307.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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