2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-methylbenzenesulfonic acid


Chemical Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-methylbenzenesulfonic acid
CAS Number: 19249-03-7
Product Number: AG00I2VC(AGN-PC-0J2CE0)
Synonyms:
MDL No: MFCD00048096
Molecular Formula: C20H26O8S2
Molecular Weight: 458.5456

Identification/Properties


Computed Properties
Molecular Weight:
458.54g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
13
Exact Mass:
458.107g/mol
Monoisotopic Mass:
458.107g/mol
Topological Polar Surface Area:
122A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
605
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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