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13750-84-0 | 1H-Imidazole, 2-(diethoxymethyl)-
CAS No: 13750-84-0 Catalog No: AG0013EL MDL No:
Product Description
Catalog Number:
AG0013EL
Chemical Name:
1H-Imidazole, 2-(diethoxymethyl)-
CAS Number:
13750-84-0
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
IUPAC Name:
2-(diethoxymethyl)-1H-imidazole
InChI:
InChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)7-9-5-6-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChI Key:
GDYWVVQIJJWUFA-UHFFFAOYSA-N
SMILES:
CCOC(c1ncc[nH]1)OCC
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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