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51366-16-6 | 3-(dodec-1-en-1-yl)-2-methylquinolin-4(1h)-one
CAS No: 51366-16-6 Catalog No: AG006WI9 MDL No:
Product Description
Catalog Number:
AG006WI9
Chemical Name:
3-(dodec-1-en-1-yl)-2-methylquinolin-4(1h)-one
CAS Number:
51366-16-6
Molecular Formula:
C22H31NO
Molecular Weight:
325.4876
IUPAC Name:
3-dodec-1-enyl-2-methyl-1H-quinolin-4-one
InChI:
InChI=1S/C22H31NO/c1-3-4-5-6-7-8-9-10-11-12-15-19-18(2)23-21-17-14-13-16-20(21)22(19)24/h12-17H,3-11H2,1-2H3,(H,23,24)
InChI Key:
NYSUEMTXPNTMPW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC=Cc1c(C)[nH]c2c(c1=O)cccc2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.241g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.496g/mol
Monoisotopic Mass:
325.241g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.7
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