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87688-13-9 | 7-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nona-2,6-dienoxy]-6,8-dimethoxy-chromen-2-one
CAS No: 87688-13-9 Catalog No: AG004NSM MDL No:
Product Description
Catalog Number:
AG004NSM
Chemical Name:
7-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nona-2,6-dienoxy]-6,8-dimethoxy-chromen-2-one
CAS Number:
87688-13-9
Molecular Formula:
C26H34O6
Molecular Weight:
442.5446
IUPAC Name:
7-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoxy]-6,8-dimethoxychromen-2-one
InChI:
InChI=1S/C26H34O6/c1-17(10-12-21-26(3,4)32-21)8-7-9-18(2)14-15-30-24-20(28-5)16-19-11-13-22(27)31-23(19)25(24)29-6/h8,11,13-14,16,21H,7,9-10,12,15H2,1-6H3/b17-8+,18-14+
InChI Key:
SWLXITARPMBYFD-BYKJUDHZSA-N
SMILES:
COc1cc2ccc(=O)oc2c(c1OC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)OC
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
442.236g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.552g/mol
Monoisotopic Mass:
442.236g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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