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833485-19-1 | Acetic acid, [4-([1,1'-biphenyl]-2-ylmethoxy)phenoxy]-, methyl ester
CAS No: 833485-19-1 Catalog No: AG004W61 MDL No:
Product Description
Catalog Number:
AG004W61
Chemical Name:
Acetic acid, [4-([1,1'-biphenyl]-2-ylmethoxy)phenoxy]-, methyl ester
CAS Number:
833485-19-1
Molecular Formula:
C22H20O4
Molecular Weight:
348.3918
IUPAC Name:
methyl 2-[4-[(2-phenylphenyl)methoxy]phenoxy]acetate
InChI:
InChI=1S/C22H20O4/c1-24-22(23)16-26-20-13-11-19(12-14-20)25-15-18-9-5-6-10-21(18)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChI Key:
KEYXURPLCISEQU-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(cc1)OCc1ccccc1c1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.398g/mol
Monoisotopic Mass:
348.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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