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875439-90-0 | 2(1H)-Quinolinone, 4-methyl-6-(oxiranylmethoxy)-
CAS No: 875439-90-0 Catalog No: AG008C1R MDL No:
Product Description
Catalog Number:
AG008C1R
Chemical Name:
2(1H)-Quinolinone, 4-methyl-6-(oxiranylmethoxy)-
CAS Number:
875439-90-0
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
4-methyl-6-(oxiran-2-ylmethoxy)-1H-quinolin-2-one
InChI:
InChI=1S/C13H13NO3/c1-8-4-13(15)14-12-3-2-9(5-11(8)12)16-6-10-7-17-10/h2-5,10H,6-7H2,1H3,(H,14,15)
InChI Key:
BOZYDQCLAYZZEP-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c([nH]1)ccc(c2)OCC1CO1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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