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120693-49-4 | 4(1H)-Quinolinone, 1-methyl-2-(6Z)-6-undecenyl-
CAS No: 120693-49-4 Catalog No: AG0080US MDL No:
Product Description
Catalog Number:
AG0080US
Chemical Name:
4(1H)-Quinolinone, 1-methyl-2-(6Z)-6-undecenyl-
CAS Number:
120693-49-4
Molecular Formula:
C21H29NO
Molecular Weight:
311.4611
IUPAC Name:
1-methyl-2-[(Z)-undec-6-enyl]quinolin-4-one
InChI:
InChI=1S/C21H29NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h6-7,12-13,15-17H,3-5,8-11,14H2,1-2H3/b7-6-
InChI Key:
ILAQTUNYLVMXNW-SREVYHEPSA-N
SMILES:
CCCC/C=C\CCCCCc1cc(=O)c2c(n1C)cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
311.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.469g/mol
Monoisotopic Mass:
311.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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