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141676-25-7 | Benzoic acid, 2,4-bis(phenylmethoxy)-, 4-(octyloxy)phenyl ester
CAS No: 141676-25-7 Catalog No: AG001GV6 MDL No:
Product Description
Catalog Number:
AG001GV6
Chemical Name:
Benzoic acid, 2,4-bis(phenylmethoxy)-, 4-(octyloxy)phenyl ester
CAS Number:
141676-25-7
Molecular Formula:
C35H38O5
Molecular Weight:
538.6732
IUPAC Name:
(4-octoxyphenyl) 2,4-bis(phenylmethoxy)benzoate
InChI:
InChI=1S/C35H38O5/c1-2-3-4-5-6-13-24-37-30-18-20-31(21-19-30)40-35(36)33-23-22-32(38-26-28-14-9-7-10-15-28)25-34(33)39-27-29-16-11-8-12-17-29/h7-12,14-23,25H,2-6,13,24,26-27H2,1H3
InChI Key:
IGSPFOPBEJZFKA-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)OC(=O)c1ccc(cc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.272g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.684g/mol
Monoisotopic Mass:
538.272g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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