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79755-47-8 | Benzeneacetic acid,2,5-bis(phenylmethoxy)-
CAS No: 79755-47-8 Catalog No: AG005HE8 MDL No:
Product Description
Catalog Number:
AG005HE8
Chemical Name:
Benzeneacetic acid,2,5-bis(phenylmethoxy)-
CAS Number:
79755-47-8
Molecular Formula:
C22H20O4
Molecular Weight:
348.3918
IUPAC Name:
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
InChI:
InChI=1S/C22H20O4/c23-22(24)14-19-13-20(25-15-17-7-3-1-4-8-17)11-12-21(19)26-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,23,24)
InChI Key:
KWIBJZFUZRSKCA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.398g/mol
Monoisotopic Mass:
348.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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