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89667-39-0 | 6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (Z)-
CAS No: 89667-39-0 Catalog No: AG0043TF MDL No:
Product Description
Catalog Number:
AG0043TF
Chemical Name:
6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (Z)-
CAS Number:
89667-39-0
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
7-phenyl-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)
InChI Key:
UWPBQLKEHGGKKD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC/C=C(\c1cccnc1)/c1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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