CAS 90097-45-3 | 3-(Hydroxymethyl);quinolin-2(1H);-one | CAS Number 90097-45-3

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90097-45-3 | 3-(Hydroxymethyl);quinolin-2(1H);-one

CAS No: 90097-45-3 Catalog No: AG006JEE MDL No:MFCD06200995

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.187g/mol

Monoisotopic Mass:

175.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

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