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188893-08-5 | Benzoic acid, 3,4-bis[[11-[(1-oxo-2-propen-1-yl)oxy]undecyl]oxy]-
CAS No: 188893-08-5 Catalog No: AG002HH6 MDL No:
Product Description
Catalog Number:
AG002HH6
Chemical Name:
Benzoic acid, 3,4-bis[[11-[(1-oxo-2-propen-1-yl)oxy]undecyl]oxy]-
CAS Number:
188893-08-5
Molecular Formula:
C35H54O8
Molecular Weight:
602.7985
IUPAC Name:
3,4-bis(11-prop-2-enoyloxyundecoxy)benzoic acid
InChI:
InChI=1S/C35H54O8/c1-3-33(36)42-27-21-17-13-9-5-7-11-15-19-25-40-31-24-23-30(35(38)39)29-32(31)41-26-20-16-12-8-6-10-14-18-22-28-43-34(37)4-2/h3-4,23-24,29H,1-2,5-22,25-28H2,(H,38,39)
InChI Key:
IKLBFDMKEXUARX-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCCCCCCCCCCOc1cc(ccc1OCCCCCCCCCCCOC(=O)C=C)C(=O)O
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
602.382g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
602.809g/mol
Monoisotopic Mass:
602.382g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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