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833485-17-9 | Benzenepropanoic acid, 3-([1,1'-biphenyl]-2-ylmethoxy)-, methyl ester
CAS No: 833485-17-9 Catalog No: AG00556E MDL No:
Product Description
Catalog Number:
AG00556E
Chemical Name:
Benzenepropanoic acid, 3-([1,1'-biphenyl]-2-ylmethoxy)-, methyl ester
CAS Number:
833485-17-9
Molecular Formula:
C23H22O3
Molecular Weight:
346.4190
IUPAC Name:
methyl 3-[3-[(2-phenylphenyl)methoxy]phenyl]propanoate
InChI:
InChI=1S/C23H22O3/c1-25-23(24)15-14-18-8-7-12-21(16-18)26-17-20-11-5-6-13-22(20)19-9-3-2-4-10-19/h2-13,16H,14-15,17H2,1H3
InChI Key:
GNDUJRVECCWEOU-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1cccc(c1)OCc1ccccc1c1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.426g/mol
Monoisotopic Mass:
346.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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