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753487-62-6 | 2-Quinolinecarboxylic acid, 4,8-dicyclohexyl-, methyl ester
CAS No: 753487-62-6 Catalog No: AG005Y0P MDL No:
Product Description
Catalog Number:
AG005Y0P
Chemical Name:
2-Quinolinecarboxylic acid, 4,8-dicyclohexyl-, methyl ester
CAS Number:
753487-62-6
Molecular Formula:
C23H29NO2
Molecular Weight:
351.4819
IUPAC Name:
methyl 4,8-dicyclohexylquinoline-2-carboxylate
InChI:
InChI=1S/C23H29NO2/c1-26-23(25)21-15-20(17-11-6-3-7-12-17)19-14-8-13-18(22(19)24-21)16-9-4-2-5-10-16/h8,13-17H,2-7,9-12H2,1H3
InChI Key:
SBYLOYPFWWDWCQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C2CCCCC2)c2c(n1)c(ccc2)C1CCCCC1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.22g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.49g/mol
Monoisotopic Mass:
351.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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