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893736-46-4 | Methyl 4'-(benzyloxy)[1,1'-biphenyl]-3-carboxylate
CAS No: 893736-46-4 Catalog No: AG01F94Z MDL No:
Product Description
Catalog Number:
AG01F94Z
Chemical Name:
Methyl 4'-(benzyloxy)[1,1'-biphenyl]-3-carboxylate
CAS Number:
893736-46-4
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
IUPAC Name:
methyl 3-(4-phenylmethoxyphenyl)benzoate
InChI:
InChI=1S/C21H18O3/c1-23-21(22)19-9-5-8-18(14-19)17-10-12-20(13-11-17)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChI Key:
DTHOIKOPJAPBQE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccc(cc1)OCc1ccccc1
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:
4.9
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