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119789-09-2

119789-09-2 | 3,5-Pyridinedicarboxylic acid, 4-(4-methoxyphenyl)-2,6-dimethyl-, 3,5-dimethyl ester

CAS No: 119789-09-2 Catalog No: AG000PN9 MDL No:MFCD00085028

Product Description

Catalog Number:
AG000PN9
Chemical Name:
3,5-Pyridinedicarboxylic acid, 4-(4-methoxyphenyl)-2,6-dimethyl-, 3,5-dimethyl ester
CAS Number:
119789-09-2
Molecular Formula:
C18H19NO5
Molecular Weight:
329.3472
MDL Number:
MFCD00085028
IUPAC Name:
dimethyl 4-(4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
InChI:
InChI=1S/C18H19NO5/c1-10-14(17(20)23-4)16(12-6-8-13(22-3)9-7-12)15(11(2)19-10)18(21)24-5/h6-9H,1-5H3
InChI Key:
NKKFNUJHUBOXNM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(C(=O)OC)c(C)nc(c1C(=O)OC)C

Properties

Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.126g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.352g/mol
Monoisotopic Mass:
329.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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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