CAS 61296-13-7 | 1-ETHYL-4-HYDROXY-6-METHYLPYRIDIN-2(1H)-ONE | CAS Number 61296-13-7

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61296-13-7 | 1-ETHYL-4-HYDROXY-6-METHYLPYRIDIN-2(1H)-ONE

CAS No: 61296-13-7 Catalog No: AG00EFGG MDL No:MFCD01859710

Product Description

Catalog Number:

AG00EFGG

Chemical Name:

1-ETHYL-4-HYDROXY-6-METHYLPYRIDIN-2(1H)-ONE

CAS Number:

61296-13-7

Molecular Formula:

C8H11NO2

Molecular Weight:

153.1784

MDL Number:

MFCD01859710

IUPAC Name:

1-ethyl-4-hydroxy-6-methylpyridin-2-one

InChI:

InChI=1S/C8H11NO2/c1-3-9-6(2)4-7(10)5-8(9)11/h4-5,10H,3H2,1-2H3

InChI Key:

ZIIBGHUPSHQDEW-UHFFFAOYSA-N

SMILES:

CCn1c(C)cc(cc1=O)O

NSC Number:

142144

Properties

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

153.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

153.181g/mol

Monoisotopic Mass:

153.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501