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638139-12-5

638139-12-5 | 1-(2-FURYLMETHYL)-4-HYDROXY-6-METHYLPYRIDIN-2(1H)-ONE

CAS No: 638139-12-5 Catalog No: AG01AQWV MDL No:MFCD04075129

Product Description

Catalog Number:
AG01AQWV
Chemical Name:
1-(2-FURYLMETHYL)-4-HYDROXY-6-METHYLPYRIDIN-2(1H)-ONE
CAS Number:
638139-12-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD04075129
IUPAC Name:
1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
InChI:
InChI=1S/C11H11NO3/c1-8-5-9(13)6-11(14)12(8)7-10-3-2-4-15-10/h2-6,13H,7H2,1H3
InChI Key:
IQOXIXHQSYCPPY-UHFFFAOYSA-N
SMILES:
Oc1cc(C)n(c(=O)c1)Cc1ccco1

Properties

Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

Title Journal
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

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