200,000+ products from a single source!
sales@angenechem.com
89667-74-3 | 6-Heptenoic acid, 7-(3-methoxy-4-propoxyphenyl)-7-(3-pyridinyl)-, (Z)-
CAS No: 89667-74-3 Catalog No: AG0043T3 MDL No:
Product Description
Catalog Number:
AG0043T3
Chemical Name:
6-Heptenoic acid, 7-(3-methoxy-4-propoxyphenyl)-7-(3-pyridinyl)-, (Z)-
CAS Number:
89667-74-3
Molecular Formula:
C22H27NO4
Molecular Weight:
369.4541
IUPAC Name:
7-(3-methoxy-4-propoxyphenyl)-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C22H27NO4/c1-3-14-27-20-12-11-17(15-21(20)26-2)19(18-8-7-13-23-16-18)9-5-4-6-10-22(24)25/h7-9,11-13,15-16H,3-6,10,14H2,1-2H3,(H,24,25)
InChI Key:
VTHUSWPYCZKGFY-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1OC)/C(=C/CCCCC(=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
Related Products
© 2019 Angene International Limited. All rights Reserved.