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89667-62-9 | 6-Heptenoic acid, 7-(3-methoxy-2-propoxyphenyl)-7-(3-pyridinyl)-
CAS No: 89667-62-9 Catalog No: AG0044KP MDL No:
Product Description
Catalog Number:
AG0044KP
Chemical Name:
6-Heptenoic acid, 7-(3-methoxy-2-propoxyphenyl)-7-(3-pyridinyl)-
CAS Number:
89667-62-9
Molecular Formula:
C22H27NO4
Molecular Weight:
369.4541
IUPAC Name:
7-(3-methoxy-2-propoxyphenyl)-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C22H27NO4/c1-3-15-27-22-19(11-7-12-20(22)26-2)18(17-9-8-14-23-16-17)10-5-4-6-13-21(24)25/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,24,25)
InChI Key:
MYMIVIDUXKKQTK-UHFFFAOYSA-N
SMILES:
CCCOc1c(OC)cccc1C(=CCCCCC(=O)O)c1cccnc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.461g/mol
Monoisotopic Mass:
369.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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