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2780-93-0 | 2(1H)-Quinolinone, 6-methyl-4-pentadecyl-
CAS No: 2780-93-0 Catalog No: AG002UST MDL No:
Product Description
Catalog Number:
AG002UST
Chemical Name:
2(1H)-Quinolinone, 6-methyl-4-pentadecyl-
CAS Number:
2780-93-0
Molecular Formula:
C25H39NO
Molecular Weight:
369.5833
IUPAC Name:
6-methyl-4-pentadecyl-1H-quinolin-2-one
InChI:
InChI=1S/C25H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-20-25(27)26-24-18-17-21(2)19-23(22)24/h17-20H,3-16H2,1-2H3,(H,26,27)
InChI Key:
UHNJILJSJIXWLB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1cc(=O)[nH]c2c1cc(C)cc2
NSC Number:
119947
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.303g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.593g/mol
Monoisotopic Mass:
369.303g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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