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100079-21-8 | Benzoic acid, 3,4,5-tris(phenylmethoxy)-, ethyl ester
CAS No: 100079-21-8 Catalog No: AG0000UN MDL No:
Product Description
Catalog Number:
AG0000UN
Chemical Name:
Benzoic acid, 3,4,5-tris(phenylmethoxy)-, ethyl ester
CAS Number:
100079-21-8
Molecular Formula:
C30H28O5
Molecular Weight:
468.5403
IUPAC Name:
ethyl 3,4,5-tris(phenylmethoxy)benzoate
InChI:
InChI=1S/C30H28O5/c1-2-32-30(31)26-18-27(33-20-23-12-6-3-7-13-23)29(35-22-25-16-10-5-11-17-25)28(19-26)34-21-24-14-8-4-9-15-24/h3-19H,2,20-22H2,1H3
InChI Key:
LPOVBWPBHYTZPB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(OCc2ccccc2)c(c(c1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.194g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.549g/mol
Monoisotopic Mass:
468.194g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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