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113889-02-4 | 1,4,7,10-Tetraoxacyclododecane, diphenyl- (9CI)
CAS No: 113889-02-4 Catalog No: AG000A0L MDL No:
Product Description
Catalog Number:
AG000A0L
Chemical Name:
1,4,7,10-Tetraoxacyclododecane, diphenyl- (9CI)
CAS Number:
113889-02-4
Molecular Formula:
C20H24O4
Molecular Weight:
328.4022
IUPAC Name:
2,2-diphenyl-1,4,7,10-tetraoxacyclododecane
InChI:
InChI=1S/C20H24O4/c1-3-7-18(8-4-1)20(19-9-5-2-6-10-19)17-23-14-13-21-11-12-22-15-16-24-20/h1-10H,11-17H2
InChI Key:
HZFRMBBFTPIHKW-UHFFFAOYSA-N
SMILES:
C1OCCOCCOCC(OC1)(c1ccccc1)c1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.167g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.408g/mol
Monoisotopic Mass:
328.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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