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116460-43-6 | Methanone, (2,3,4-trimethoxyphenyl)[2,4,6-tris(phenylmethoxy)phenyl]-
CAS No: 116460-43-6 Catalog No: AG000CJT MDL No:
Product Description
Catalog Number:
AG000CJT
Chemical Name:
Methanone, (2,3,4-trimethoxyphenyl)[2,4,6-tris(phenylmethoxy)phenyl]-
CAS Number:
116460-43-6
Molecular Formula:
C37H34O7
Molecular Weight:
590.6617
IUPAC Name:
(2,3,4-trimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]methanone
InChI:
InChI=1S/C37H34O7/c1-39-31-20-19-30(36(40-2)37(31)41-3)35(38)34-32(43-24-27-15-9-5-10-16-27)21-29(42-23-26-13-7-4-8-14-26)22-33(34)44-25-28-17-11-6-12-18-28/h4-22H,23-25H2,1-3H3
InChI Key:
OBHPZJNHJNYDGW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC)OC)C(=O)c1c(OCc2ccccc2)cc(cc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
590.23g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
590.672g/mol
Monoisotopic Mass:
590.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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