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Home > Quinoline > 828277-18-5
828277-18-5 | 2(1H)-Quinolinone, 4-(methoxymethyl)-1,6-dimethyl-7-(2-propynyloxy)-
CAS No: 828277-18-5 Catalog No: AG004SOA MDL No:
Product Description
Catalog Number:
AG004SOA
Chemical Name:
2(1H)-Quinolinone, 4-(methoxymethyl)-1,6-dimethyl-7-(2-propynyloxy)-
CAS Number:
828277-18-5
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
4-(methoxymethyl)-1,6-dimethyl-7-prop-2-ynoxyquinolin-2-one
InChI:
InChI=1S/C16H17NO3/c1-5-6-20-15-9-14-13(7-11(15)2)12(10-19-4)8-16(18)17(14)3/h1,7-9H,6,10H2,2-4H3
InChI Key:
ZEAUSNUCWRNVDR-UHFFFAOYSA-N
SMILES:
COCc1cc(=O)n(c2c1cc(C)c(c2)OCC#C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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