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89667-78-7 | 6-Heptenoic acid, 7-(2-furanyl)-7-(3-pyridinyl)-, (Z)-
CAS No: 89667-78-7 Catalog No: AG0043HV MDL No:
Product Description
Catalog Number:
AG0043HV
Chemical Name:
6-Heptenoic acid, 7-(2-furanyl)-7-(3-pyridinyl)-, (Z)-
CAS Number:
89667-78-7
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
7-(furan-2-yl)-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C16H17NO3/c18-16(19)9-3-1-2-7-14(15-8-5-11-20-15)13-6-4-10-17-12-13/h4-8,10-12H,1-3,9H2,(H,18,19)
InChI Key:
JMZSCCGTGJYVST-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC/C=C(\c1ccco1)/c1cccnc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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