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4439-24-1 | ETHYLENE GLYCOL MONOISOBUTYL ETHER
CAS No: 4439-24-1 Catalog No: AG003QII MDL No:MFCD00059601
Product Description
Catalog Number:
AG003QII
Chemical Name:
ETHYLENE GLYCOL MONOISOBUTYL ETHER
CAS Number:
4439-24-1
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD00059601
IUPAC Name:
2-(2-methylpropoxy)ethanol
InChI:
InChI=1S/C6H14O2/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3
InChI Key:
HHAPGMVKBLELOE-UHFFFAOYSA-N
SMILES:
OCCOCC(C)C
EC Number:
224-658-5
Properties
Complexity:
43.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Entanglement of protons in organic molecules: an attosecond neutron scattering study of C [bond] H bond breaking. | Journal of the American Chemical Society 20011205 |
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