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111-46-6 | Diethylene glycol
CAS No: 111-46-6 Catalog No: AG0037YE MDL No:MFCD00002882
Product Description
Catalog Number:
AG0037YE
Chemical Name:
Diethylene glycol
CAS Number:
111-46-6
Molecular Formula:
C4H10O3
Molecular Weight:
106.1204
MDL Number:
MFCD00002882
IUPAC Name:
2-(2-hydroxyethoxy)ethanol
InChI:
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI Key:
MTHSVFCYNBDYFN-UHFFFAOYSA-N
SMILES:
OCCOCCO
EC Number:
203-872-2
UNII:
61BR964293
RTECS Number:
ID5950000
Properties
Complexity:
26.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
106.121g/mol
Monoisotopic Mass:
106.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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