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96057-78-2 | Phenol, 3-(phenylmethoxy)-, benzoate
CAS No: 96057-78-2 Catalog No: AG01FDOF MDL No:
Product Description
Catalog Number:
AG01FDOF
Chemical Name:
Phenol, 3-(phenylmethoxy)-, benzoate
CAS Number:
96057-78-2
Molecular Formula:
C20H16O3
Molecular Weight:
304.3392
IUPAC Name:
(3-phenylmethoxyphenyl) benzoate
InChI:
InChI=1S/C20H16O3/c21-20(17-10-5-2-6-11-17)23-19-13-7-12-18(14-19)22-15-16-8-3-1-4-9-16/h1-14H,15H2
InChI Key:
YUDYCOFGRDGKDZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cccc(c1)OCc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.345g/mol
Monoisotopic Mass:
304.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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