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89423-68-7 | 2(1H)-Quinolinone, 3-[(3,3-dimethyloxiranyl)methyl]-4-methoxy-
CAS No: 89423-68-7 Catalog No: AG0044S8 MDL No:
Product Description
Catalog Number:
AG0044S8
Chemical Name:
2(1H)-Quinolinone, 3-[(3,3-dimethyloxiranyl)methyl]-4-methoxy-
CAS Number:
89423-68-7
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
3-[(3,3-dimethyloxiran-2-yl)methyl]-4-methoxy-1H-quinolin-2-one
InChI:
InChI=1S/C15H17NO3/c1-15(2)12(19-15)8-10-13(18-3)9-6-4-5-7-11(9)16-14(10)17/h4-7,12H,8H2,1-3H3,(H,16,17)
InChI Key:
LYGMWXVYIDHBIT-UHFFFAOYSA-N
SMILES:
COc1c(CC2OC2(C)C)c(=O)[nH]c2c1cccc2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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