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126144-65-8 | 2-Propanol, 1,3-bis[bis(4-methoxyphenyl)phenylmethoxy]-
CAS No: 126144-65-8 Catalog No: AG000RRP MDL No:
Product Description
Catalog Number:
AG000RRP
Chemical Name:
2-Propanol, 1,3-bis[bis(4-methoxyphenyl)phenylmethoxy]-
CAS Number:
126144-65-8
Molecular Formula:
C45H44O7
Molecular Weight:
696.8267
IUPAC Name:
1,3-bis[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol
InChI:
InChI=1S/C45H44O7/c1-47-40-23-15-35(16-24-40)44(33-11-7-5-8-12-33,36-17-25-41(48-2)26-18-36)51-31-39(46)32-52-45(34-13-9-6-10-14-34,37-19-27-42(49-3)28-20-37)38-21-29-43(50-4)30-22-38/h5-30,39,46H,31-32H2,1-4H3
InChI Key:
AZIXRROCVVAOSM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OCC(COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1)O
Properties
Complexity:
852
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
696.309g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
696.84g/mol
Monoisotopic Mass:
696.309g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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