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89667-85-6 | 6-Heptenoic acid, 7-(4-pentylphenyl)-7-(3-pyridinyl)-, (Z)-
CAS No: 89667-85-6 Catalog No: AG0043T1 MDL No:
Product Description
Catalog Number:
AG0043T1
Chemical Name:
6-Heptenoic acid, 7-(4-pentylphenyl)-7-(3-pyridinyl)-, (Z)-
CAS Number:
89667-85-6
Molecular Formula:
C23H29NO2
Molecular Weight:
351.4819
IUPAC Name:
7-(4-pentylphenyl)-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C23H29NO2/c1-2-3-5-9-19-13-15-20(16-14-19)22(21-10-8-17-24-18-21)11-6-4-7-12-23(25)26/h8,10-11,13-18H,2-7,9,12H2,1H3,(H,25,26)
InChI Key:
BMPGXGMUDMACBB-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)/C(=C/CCCCC(=O)O)/c1cccnc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.22g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.49g/mol
Monoisotopic Mass:
351.22g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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