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893736-40-8 | Methyl 2'-(benzyloxy)[1,1'-biphenyl]-4-carboxylate
CAS No: 893736-40-8 Catalog No: AG01F94Y MDL No:
Product Description
Catalog Number:
AG01F94Y
Chemical Name:
Methyl 2'-(benzyloxy)[1,1'-biphenyl]-4-carboxylate
CAS Number:
893736-40-8
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
IUPAC Name:
methyl 4-(2-phenylmethoxyphenyl)benzoate
InChI:
InChI=1S/C21H18O3/c1-23-21(22)18-13-11-17(12-14-18)19-9-5-6-10-20(19)24-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChI Key:
VHISJVLBHXHKJL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1ccccc1OCc1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.372g/mol
Monoisotopic Mass:
318.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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