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137591-57-2 | Benzene, 1,1'-oxybis[3,5-dimethyl-
CAS No: 137591-57-2 Catalog No: AG0013M1 MDL No:
Product Description
Catalog Number:
AG0013M1
Chemical Name:
Benzene, 1,1'-oxybis[3,5-dimethyl-
CAS Number:
137591-57-2
Molecular Formula:
C16H18O
Molecular Weight:
226.3135
IUPAC Name:
1-(3,5-dimethylphenoxy)-3,5-dimethylbenzene
InChI:
InChI=1S/C16H18O/c1-11-5-12(2)8-15(7-11)17-16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
InChI Key:
IDZDZZNLONBARV-UHFFFAOYSA-N
SMILES:
Cc1cc(Oc2cc(C)cc(c2)C)cc(c1)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.319g/mol
Monoisotopic Mass:
226.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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