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874351-63-0 | Benzoic acid, 2,5-bis[[4-(2-propenyloxy)benzoyl]oxy]-, octyl ester
CAS No: 874351-63-0 Catalog No: AG004FY0 MDL No:
Product Description
Catalog Number:
AG004FY0
Chemical Name:
Benzoic acid, 2,5-bis[[4-(2-propenyloxy)benzoyl]oxy]-, octyl ester
CAS Number:
874351-63-0
Molecular Formula:
C35H38O8
Molecular Weight:
586.6714
IUPAC Name:
octyl 2,5-bis[(4-prop-2-enoxybenzoyl)oxy]benzoate
InChI:
InChI=1S/C35H38O8/c1-4-7-8-9-10-11-24-41-35(38)31-25-30(42-33(36)26-12-16-28(17-13-26)39-22-5-2)20-21-32(31)43-34(37)27-14-18-29(19-15-27)40-23-6-3/h5-6,12-21,25H,2-4,7-11,22-24H2,1H3
InChI Key:
GUYJJEZNKXTJNF-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1cc(ccc1OC(=O)c1ccc(cc1)OCC=C)OC(=O)c1ccc(cc1)OCC=C
Properties
Complexity:
856
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.257g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
586.681g/mol
Monoisotopic Mass:
586.257g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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