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120693-50-7 | 4(1H)-Quinolinone, 1-methyl-2-(10Z)-10-pentadecenyl-
CAS No: 120693-50-7 Catalog No: AG0080UR MDL No:
Product Description
Catalog Number:
AG0080UR
Chemical Name:
4(1H)-Quinolinone, 1-methyl-2-(10Z)-10-pentadecenyl-
CAS Number:
120693-50-7
Molecular Formula:
C25H37NO
Molecular Weight:
367.5674
IUPAC Name:
1-methyl-2-pentadec-10-enylquinolin-4-one
InChI:
InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h6-7,16-17,19-21H,3-5,8-15,18H2,1-2H3
InChI Key:
PNTAWDRGJFZGEL-UHFFFAOYSA-N
SMILES:
CCCC/C=C\CCCCCCCCCc1cc(=O)c2c(n1C)cccc2
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.288g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.577g/mol
Monoisotopic Mass:
367.288g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.4
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