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89667-91-4 | 7-Octenoic acid, 8-(3-pyridinyl)-8-(2-thienyl)-, (E)-
CAS No: 89667-91-4 Catalog No: AG0044KD MDL No:
Product Description
Catalog Number:
AG0044KD
Chemical Name:
7-Octenoic acid, 8-(3-pyridinyl)-8-(2-thienyl)-, (E)-
CAS Number:
89667-91-4
Molecular Formula:
C17H19NO2S
Molecular Weight:
301.4033
IUPAC Name:
8-pyridin-3-yl-8-thiophen-2-yloct-7-enoic acid
InChI:
InChI=1S/C17H19NO2S/c19-17(20)10-4-2-1-3-8-15(16-9-6-12-21-16)14-7-5-11-18-13-14/h5-9,11-13H,1-4,10H2,(H,19,20)
InChI Key:
KMQOEWCRBOTLEZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC/C=C(/c1cccs1)\c1cccnc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.404g/mol
Monoisotopic Mass:
301.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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