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116619-44-4 | Carbonic acid, 4'-[(2-methoxy-3-methylpentyl)oxy][1,1'-biphenyl]-4-yl undecyl ester
CAS No: 116619-44-4 Catalog No: AG000CWJ MDL No:
Product Description
Catalog Number:
AG000CWJ
Chemical Name:
Carbonic acid, 4'-[(2-methoxy-3-methylpentyl)oxy][1,1'-biphenyl]-4-yl undecyl ester
CAS Number:
116619-44-4
Molecular Formula:
C31H46O5
Molecular Weight:
498.6939
IUPAC Name:
11-[4-[4-(2-methoxy-3-methylpentoxy)phenyl]phenyl]undecyl carbonate
InChI:
InChI=1S/C31H46O5/c1-4-25(2)30(34-3)24-36-29-21-19-28(20-22-29)27-17-15-26(16-18-27)14-12-10-8-6-5-7-9-11-13-23-35-31(32)33/h15-22,25,30H,4-14,23-24H2,1-3H3,(H,32,33)/p-1
InChI Key:
MUDUDXXGBKNCJV-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCOC(=O)Oc1ccc(cc1)c1ccc(cc1)OCC(C(CC)C)OC
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.327g/mol
Formal Charge:
-1
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.696g/mol
Monoisotopic Mass:
497.327g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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