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857579-51-2 | Benzene, 1,4-bis(undecyloxy)-
CAS No: 857579-51-2 Catalog No: AG004Y7V MDL No:
Product Description
Catalog Number:
AG004Y7V
Chemical Name:
Benzene, 1,4-bis(undecyloxy)-
CAS Number:
857579-51-2
Molecular Formula:
C28H50O2
Molecular Weight:
418.6954
IUPAC Name:
1,4-di(undecoxy)benzene
InChI:
InChI=1S/C28H50O2/c1-3-5-7-9-11-13-15-17-19-25-29-27-21-23-28(24-22-27)30-26-20-18-16-14-12-10-8-6-4-2/h21-24H,3-20,25-26H2,1-2H3
InChI Key:
BVLJUAMTLCFREP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOc1ccc(cc1)OCCCCCCCCCCC
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.381g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.706g/mol
Monoisotopic Mass:
418.381g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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