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Home > Pyridines > 114050-28-1
114050-28-1 | 10-Undecenoic acid, 2-thioxo-1(2H)-pyridinyl ester
CAS No: 114050-28-1 Catalog No: AG000AEI MDL No:
Product Description
Catalog Number:
AG000AEI
Chemical Name:
10-Undecenoic acid, 2-thioxo-1(2H)-pyridinyl ester
CAS Number:
114050-28-1
Molecular Formula:
C16H23NO2S
Molecular Weight:
293.4243
IUPAC Name:
(2-sulfanylidenepyridin-1-yl) undec-10-enoate
InChI:
InChI=1S/C16H23NO2S/c1-2-3-4-5-6-7-8-9-13-16(18)19-17-14-11-10-12-15(17)20/h2,10-12,14H,1,3-9,13H2
InChI Key:
IDVYHPOMSGURJA-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCC(=O)On1ccccc1=S
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.145g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.425g/mol
Monoisotopic Mass:
293.145g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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