200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 189450-56-4
189450-56-4 | 2,7-Pentadecadienoic acid, 15-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (2E,7Z)-
CAS No: 189450-56-4 Catalog No: AG002DOW MDL No:
Product Description
Catalog Number:
AG002DOW
Chemical Name:
2,7-Pentadecadienoic acid, 15-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (2E,7Z)-
CAS Number:
189450-56-4
Molecular Formula:
C22H30O6
Molecular Weight:
390.4700
IUPAC Name:
15-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadeca-2,7-dienoic acid
InChI:
InChI=1S/C22H30O6/c1-28-19-16-18(23)21(26)17(22(19)27)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20(24)25/h3,5,13,15-16,26H,2,4,6-12,14H2,1H3,(H,24,25)
InChI Key:
DSDOWUKLOBXSHI-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=C(C1=O)CCCCCCC/C=C\CCC/C=C/C(=O)O)O
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.204g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.476g/mol
Monoisotopic Mass:
390.204g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.