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110577-45-2 | 1-Butanone,1-(1H-imidazol-1-yl)-3,3-dimethyl-2-(1-methylethyl)-
CAS No: 110577-45-2 Catalog No: AG0083NF MDL No:
Product Description
Catalog Number:
AG0083NF
Chemical Name:
1-Butanone,1-(1H-imidazol-1-yl)-3,3-dimethyl-2-(1-methylethyl)-
CAS Number:
110577-45-2
Molecular Formula:
C12H20N2O
Molecular Weight:
208.3000
IUPAC Name:
1-imidazol-1-yl-3,3-dimethyl-2-propan-2-ylbutan-1-one
InChI:
InChI=1S/C12H20N2O/c1-9(2)10(12(3,4)5)11(15)14-7-6-13-8-14/h6-10H,1-5H3
InChI Key:
SQKPVBVGUYXFJI-UHFFFAOYSA-N
SMILES:
CC(C(C(C)(C)C)C(=O)n1cncc1)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.305g/mol
Monoisotopic Mass:
208.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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