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Home > Imidazoles > 71254-88-1
71254-88-1 | 1H-Imidazole, 1-acetyl-4,5-dihydro-4,4-dimethyl-
CAS No: 71254-88-1 Catalog No: AG005VU2 MDL No:
Product Description
Catalog Number:
AG005VU2
Chemical Name:
1H-Imidazole, 1-acetyl-4,5-dihydro-4,4-dimethyl-
CAS Number:
71254-88-1
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
IUPAC Name:
1-(5,5-dimethyl-4H-imidazol-3-yl)ethanone
InChI:
InChI=1S/C7H12N2O/c1-6(10)9-4-7(2,3)8-5-9/h5H,4H2,1-3H3
InChI Key:
ZLXJXURQXAFUHU-UHFFFAOYSA-N
SMILES:
CC(=O)N1C=NC(C1)(C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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