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Home Other Building Blocks 3-(Hydroxymethyl);quinolin-2(1H);-one

3-(Hydroxymethyl);quinolin-2(1H);-one

CAS No.:
90097-45-3
Catalog Number:
AG006JEE
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG006JEE
Chemical Name:
3-(Hydroxymethyl);quinolin-2(1H);-one
CAS Number:
90097-45-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD06200995
IUPAC Name:
3-(hydroxymethyl)-1H-quinolin-2-one
InChI:
InChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5,12H,6H2,(H,11,13)
InChI Key:
VHJYMYGHHCHEDA-UHFFFAOYSA-N
SMILES:
OCc1cc2ccccc2[nH]c1=O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Identification, design and biological evaluation of bisaryl quinolones targeting Plasmodium falciparum type II NADH:quinone oxidoreductase (PfNDH2). Journal of medicinal chemistry 20120308
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties