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15131-72-3 | 3-Pyridinecarboxylic acid, 4-formylphenyl ester
CAS No: 15131-72-3 Catalog No: AG001N98 MDL No:MFCD02214758
Product Description
Catalog Number:
AG001N98
Chemical Name:
3-Pyridinecarboxylic acid, 4-formylphenyl ester
CAS Number:
15131-72-3
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
MDL Number:
MFCD02214758
IUPAC Name:
(4-formylphenyl) pyridine-3-carboxylate
InChI:
InChI=1S/C13H9NO3/c15-9-10-3-5-12(6-4-10)17-13(16)11-2-1-7-14-8-11/h1-9H
InChI Key:
MEASBTFUQUJCEP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(=O)c1cccnc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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