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144268-00-8 | 1,4-Benzenediol, 2-[(2-hydroxyethyl)thio]-3,5-dimethoxy-
CAS No: 144268-00-8 Catalog No: AG001J7J MDL No:
Product Description
Catalog Number:
AG001J7J
Chemical Name:
1,4-Benzenediol, 2-[(2-hydroxyethyl)thio]-3,5-dimethoxy-
CAS Number:
144268-00-8
Molecular Formula:
C10H14O5S
Molecular Weight:
246.2802
IUPAC Name:
2-(2-hydroxyethylsulfanyl)-3,5-dimethoxybenzene-1,4-diol
InChI:
InChI=1S/C10H14O5S/c1-14-7-5-6(12)10(16-4-3-11)9(15-2)8(7)13/h5,11-13H,3-4H2,1-2H3
InChI Key:
AUYSTSCUPNVPPS-UHFFFAOYSA-N
SMILES:
OCCSc1c(O)cc(c(c1OC)O)OC
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.277g/mol
Monoisotopic Mass:
246.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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