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139651-00-6 | 2-Propanol, 1,3-bis[4-[bis[4-(2-oxiranylmethoxy)phenyl]methyl]phenoxy]-
CAS No: 139651-00-6 Catalog No: AG001BGF MDL No:
Product Description
Catalog Number:
AG001BGF
Chemical Name:
2-Propanol, 1,3-bis[4-[bis[4-(2-oxiranylmethoxy)phenyl]methyl]phenoxy]-
CAS Number:
139651-00-6
Molecular Formula:
C53H52O11
Molecular Weight:
864.9734
IUPAC Name:
1,3-bis[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]propan-2-ol
InChI:
InChI=1S/C53H52O11/c54-41(25-55-42-13-1-35(2-14-42)52(37-5-17-44(18-6-37)57-27-48-31-61-48)38-7-19-45(20-8-38)58-28-49-32-62-49)26-56-43-15-3-36(4-16-43)53(39-9-21-46(22-10-39)59-29-50-33-63-50)40-11-23-47(24-12-40)60-30-51-34-64-51/h1-24,41,48-54H,25-34H2
InChI Key:
APCGDISDOKEHBF-UHFFFAOYSA-N
SMILES:
OC(COc1ccc(cc1)C(c1ccc(cc1)OCC1OC1)c1ccc(cc1)OCC1OC1)COc1ccc(cc1)C(c1ccc(cc1)OCC1OC1)c1ccc(cc1)OCC1OC1
Properties
Complexity:
1170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
864.351g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
864.988g/mol
Monoisotopic Mass:
864.351g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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