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114561-15-8 | 2(1H)-Quinolinone, 3-(hydroxymethyl)-1-methyl-
CAS No: 114561-15-8 Catalog No: AG000EO1 MDL No:MFCD06738250
Product Description
Catalog Number:
AG000EO1
Chemical Name:
2(1H)-Quinolinone, 3-(hydroxymethyl)-1-methyl-
CAS Number:
114561-15-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD06738250
IUPAC Name:
3-(hydroxymethyl)-1-methylquinolin-2-one
InChI:
InChI=1S/C11H11NO2/c1-12-10-5-3-2-4-8(10)6-9(7-13)11(12)14/h2-6,13H,7H2,1H3
InChI Key:
RZVICXIGFUNOSW-UHFFFAOYSA-N
SMILES:
OCc1cc2ccccc2n(c1=O)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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