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85117-81-3 | Isopropylidenedi-p-phenylene dinonan-1-oate
CAS No: 85117-81-3 Catalog No: AG004RCH MDL No:
Product Description
Catalog Number:
AG004RCH
Chemical Name:
Isopropylidenedi-p-phenylene dinonan-1-oate
CAS Number:
85117-81-3
Molecular Formula:
C33H48O4
Molecular Weight:
508.7318
IUPAC Name:
[4-[2-(4-nonanoyloxyphenyl)propan-2-yl]phenyl] nonanoate
InChI:
InChI=1S/C33H48O4/c1-5-7-9-11-13-15-17-31(34)36-29-23-19-27(20-24-29)33(3,4)28-21-25-30(26-22-28)37-32(35)18-16-14-12-10-8-6-2/h19-26H,5-18H2,1-4H3
InChI Key:
QKLACWSNQIWZAK-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)CCCCCCCC)(C)C
EC Number:
285-631-1
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.355g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
508.743g/mol
Monoisotopic Mass:
508.355g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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