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89753-08-2 | Benzene, 1,1'-(1,12-dodecanediyl)bis[3,4-dimethoxy-
CAS No: 89753-08-2 Catalog No: AG0040BC MDL No:
Product Description
Catalog Number:
AG0040BC
Chemical Name:
Benzene, 1,1'-(1,12-dodecanediyl)bis[3,4-dimethoxy-
CAS Number:
89753-08-2
Molecular Formula:
C28H42O4
Molecular Weight:
442.6307
IUPAC Name:
4-[12-(3,4-dimethoxyphenyl)dodecyl]-1,2-dimethoxybenzene
InChI:
InChI=1S/C28H42O4/c1-29-25-19-17-23(21-27(25)31-3)15-13-11-9-7-5-6-8-10-12-14-16-24-18-20-26(30-2)28(22-24)32-4/h17-22H,5-16H2,1-4H3
InChI Key:
FEDXASFNVCQSCV-UHFFFAOYSA-N
SMILES:
COc1cc(CCCCCCCCCCCCc2ccc(c(c2)OC)OC)ccc1OC
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.308g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.64g/mol
Monoisotopic Mass:
442.308g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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