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Home > Pyridines > 732953-71-8
732953-71-8 | (2E)-3-[4-(5-propylpyridin-2-yl)phenyl]acrylic acid
CAS No: 732953-71-8 Catalog No: AG00J3QG MDL No:MFCD00691463
Product Description
Catalog Number:
AG00J3QG
Chemical Name:
(2E)-3-[4-(5-propylpyridin-2-yl)phenyl]acrylic acid
CAS Number:
732953-71-8
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
MDL Number:
MFCD00691463
IUPAC Name:
(E)-3-[4-(5-propylpyridin-2-yl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C17H17NO2/c1-2-3-14-6-10-16(18-12-14)15-8-4-13(5-9-15)7-11-17(19)20/h4-12H,2-3H2,1H3,(H,19,20)/b11-7+
InChI Key:
JJIZGFRMYDAVKA-YRNVUSSQSA-N
SMILES:
CCCc1ccc(nc1)c1ccc(cc1)/C=C/C(=O)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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