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92502-40-4

92502-40-4 | [2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol

CAS No: 92502-40-4 Catalog No: AG00JH0W MDL No:MFCD05860709

Product Description

Catalog Number:
AG00JH0W
Chemical Name:
[2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol
CAS Number:
92502-40-4
Molecular Formula:
C14H19NO6
Molecular Weight:
297.3038
MDL Number:
MFCD05860709
IUPAC Name:
[4-(hydroxymethyl)-2-(3,4,5-trimethoxyphenyl)-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C14H19NO6/c1-18-10-4-9(5-11(19-2)12(10)20-3)13-15-14(6-16,7-17)8-21-13/h4-5,16-17H,6-8H2,1-3H3
InChI Key:
IAGBEULSQUKXHT-UHFFFAOYSA-N
SMILES:
OCC1(CO)COC(=N1)c1cc(OC)c(c(c1)OC)OC

Properties

Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.121g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.307g/mol
Monoisotopic Mass:
297.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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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