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116204-13-8 | 2-Quinolinecarboxylic acid, 8-[2-(4-dodecylphenyl)-2-oxoethoxy]-
CAS No: 116204-13-8 Catalog No: AG000BWI MDL No:
Product Description
Catalog Number:
AG000BWI
Chemical Name:
2-Quinolinecarboxylic acid, 8-[2-(4-dodecylphenyl)-2-oxoethoxy]-
CAS Number:
116204-13-8
Molecular Formula:
C30H37NO4
Molecular Weight:
475.6191
IUPAC Name:
8-[2-(4-dodecylphenyl)-2-oxoethoxy]quinoline-2-carboxylic acid
InChI:
InChI=1S/C30H37NO4/c1-2-3-4-5-6-7-8-9-10-11-13-23-16-18-24(19-17-23)27(32)22-35-28-15-12-14-25-20-21-26(30(33)34)31-29(25)28/h12,14-21H,2-11,13,22H2,1H3,(H,33,34)
InChI Key:
KFNXIVKUDHSDIX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)C(=O)COc1cccc2c1nc(cc2)C(=O)O
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.272g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.629g/mol
Monoisotopic Mass:
475.272g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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