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114212-69-0

114212-69-0 | 1,3-Benzenediol, 5,5'-[1,2-ethanediylbis(oxy)]bis- (9CI)

CAS No: 114212-69-0 Catalog No: AG000AT7 MDL No:

Product Description

Catalog Number:
AG000AT7
Chemical Name:
1,3-Benzenediol, 5,5'-[1,2-ethanediylbis(oxy)]bis- (9CI)
CAS Number:
114212-69-0
Molecular Formula:
C14H14O6
Molecular Weight:
278.2574
IUPAC Name:
5-[2-(3,5-dihydroxyphenoxy)ethoxy]benzene-1,3-diol
InChI:
InChI=1S/C14H14O6/c15-9-3-10(16)6-13(5-9)19-1-2-20-14-7-11(17)4-12(18)8-14/h3-8,15-18H,1-2H2
InChI Key:
JIYOCRRCMBITHF-UHFFFAOYSA-N
SMILES:
Oc1cc(OCCOc2cc(O)cc(c2)O)cc(c1)O

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.079g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
278.26g/mol
Monoisotopic Mass:
278.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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