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85967-29-9 | OCTADECYL PHENOXY BENZENE
CAS No: 85967-29-9 Catalog No: AG004QBV MDL No:
Product Description
Catalog Number:
AG004QBV
Chemical Name:
OCTADECYL PHENOXY BENZENE
CAS Number:
85967-29-9
Molecular Formula:
C30H46O
Molecular Weight:
422.6856
IUPAC Name:
1-octadecyl-2-phenoxybenzene
InChI:
InChI=1S/C30H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-28-24-21-22-27-30(28)31-29-25-19-17-20-26-29/h17,19-22,24-27H,2-16,18,23H2,1H3
InChI Key:
BKMJANZLJDQHPG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCc1ccccc1Oc1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.355g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.697g/mol
Monoisotopic Mass:
422.355g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.9
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