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183237-08-3 | 2(1H)-Quinolinone, 4-(phenoxymethyl)-
CAS No: 183237-08-3 Catalog No: AG0027FC MDL No:
Product Description
Catalog Number:
AG0027FC
Chemical Name:
2(1H)-Quinolinone, 4-(phenoxymethyl)-
CAS Number:
183237-08-3
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
4-(phenoxymethyl)-1H-quinolin-2-one
InChI:
InChI=1S/C16H13NO2/c18-16-10-12(11-19-13-6-2-1-3-7-13)14-8-4-5-9-15(14)17-16/h1-10H,11H2,(H,17,18)
InChI Key:
ZAVSZFJLOQQBEK-UHFFFAOYSA-N
SMILES:
O=c1cc(COc2ccccc2)c2c([nH]1)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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