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89667-77-6 | 6-Heptenoic acid, 7-(3-pyridinyl)-7-(3-thienyl)-, (E)-
CAS No: 89667-77-6 Catalog No: AG0044KK MDL No:
Product Description
Catalog Number:
AG0044KK
Chemical Name:
6-Heptenoic acid, 7-(3-pyridinyl)-7-(3-thienyl)-, (E)-
CAS Number:
89667-77-6
Molecular Formula:
C16H17NO2S
Molecular Weight:
287.3767
IUPAC Name:
7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid
InChI:
InChI=1S/C16H17NO2S/c18-16(19)7-3-1-2-6-15(14-8-10-20-12-14)13-5-4-9-17-11-13/h4-6,8-12H,1-3,7H2,(H,18,19)
InChI Key:
AUHWGTZWSCJFAG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC/C=C(/c1ccsc1)\c1cccnc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.377g/mol
Monoisotopic Mass:
287.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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