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113573-34-5 | Oxirane, 2,2'-[methylenebis[(methoxyphenylene)oxymethylene]]bis- (9CI)
CAS No: 113573-34-5 Catalog No: AG00091I MDL No:
Product Description
Catalog Number:
AG00091I
Chemical Name:
Oxirane, 2,2'-[methylenebis[(methoxyphenylene)oxymethylene]]bis- (9CI)
CAS Number:
113573-34-5
Molecular Formula:
C21H24O6
Molecular Weight:
372.4117
IUPAC Name:
2-[[2-methoxy-6-[[3-methoxy-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
InChI:
InChI=1S/C21H24O6/c1-22-18-7-3-5-14(20(18)26-12-16-10-24-16)9-15-6-4-8-19(23-2)21(15)27-13-17-11-25-17/h3-8,16-17H,9-13H2,1-2H3
InChI Key:
UQNRKLXYFPGTKJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OCC1OC1)Cc1cccc(c1OCC1OC1)OC
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.157g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.417g/mol
Monoisotopic Mass:
372.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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