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3468-30-2

3468-30-2 | 3-Pyridinecarboxylic acid, 4-methoxyphenyl ester

CAS No: 3468-30-2 Catalog No: AG007CVJ MDL No:

Product Description

Catalog Number:
AG007CVJ
Chemical Name:
3-Pyridinecarboxylic acid, 4-methoxyphenyl ester
CAS Number:
3468-30-2
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
(4-methoxyphenyl) pyridine-3-carboxylate
InChI:
InChI=1S/C13H11NO3/c1-16-11-4-6-12(7-5-11)17-13(15)10-3-2-8-14-9-10/h2-9H,1H3
InChI Key:
YKRYFWGYMGFVCO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC(=O)c1cccnc1

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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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