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893736-57-7 | Methyl 3'-(benzyloxy)[1,1'-biphenyl]-2-carboxylate
CAS No: 893736-57-7 Catalog No: AG01F950 MDL No:
Product Description
Catalog Number:
AG01F950
Chemical Name:
Methyl 3'-(benzyloxy)[1,1'-biphenyl]-2-carboxylate
CAS Number:
893736-57-7
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
IUPAC Name:
methyl 2-(3-phenylmethoxyphenyl)benzoate
InChI:
InChI=1S/C21H18O3/c1-23-21(22)20-13-6-5-12-19(20)17-10-7-11-18(14-17)24-15-16-8-3-2-4-9-16/h2-14H,15H2,1H3
InChI Key:
HUTOLISROBLOPI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1c1cccc(c1)OCc1ccccc1
Properties
Complexity:
389
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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