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114185-01-2 | 1,3-Dioxolane, 4-[1,2-bis(phenylmethoxy)ethyl]-2-phenyl-
CAS No: 114185-01-2 Catalog No: AG000ARF MDL No:
Product Description
Catalog Number:
AG000ARF
Chemical Name:
1,3-Dioxolane, 4-[1,2-bis(phenylmethoxy)ethyl]-2-phenyl-
CAS Number:
114185-01-2
Molecular Formula:
C25H26O4
Molecular Weight:
390.4715
IUPAC Name:
4-[1,2-bis(phenylmethoxy)ethyl]-2-phenyl-1,3-dioxolane
InChI:
InChI=1S/C25H26O4/c1-4-10-20(11-5-1)16-26-18-23(27-17-21-12-6-2-7-13-21)24-19-28-25(29-24)22-14-8-3-9-15-22/h1-15,23-25H,16-19H2
InChI Key:
ZWHBEJIJVYFXEN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COC(C1COC(O1)c1ccccc1)COCc1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.183g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.479g/mol
Monoisotopic Mass:
390.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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