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145531-13-1 | Benzoic acid, 4,4'-oxybis-, 1,1'-bis(1,1-dimethylethyl) ester
CAS No: 145531-13-1 Catalog No: AG001D5F MDL No:
Product Description
Catalog Number:
AG001D5F
Chemical Name:
Benzoic acid, 4,4'-oxybis-, 1,1'-bis(1,1-dimethylethyl) ester
CAS Number:
145531-13-1
Molecular Formula:
C22H26O5
Molecular Weight:
370.4388
IUPAC Name:
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]benzoate
InChI:
InChI=1S/C22H26O5/c1-21(2,3)26-19(23)15-7-11-17(12-8-15)25-18-13-9-16(10-14-18)20(24)27-22(4,5)6/h7-14H,1-6H3
InChI Key:
ZLLAPZNKUYCNEA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Oc1ccc(cc1)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.445g/mol
Monoisotopic Mass:
370.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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