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84227-35-0 | 1-Propanone, 1-(5-methyl-2-propyl-1H-imidazol-4-yl)-
CAS No: 84227-35-0 Catalog No: AG004Y6U MDL No:
Product Description
Catalog Number:
AG004Y6U
Chemical Name:
1-Propanone, 1-(5-methyl-2-propyl-1H-imidazol-4-yl)-
CAS Number:
84227-35-0
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one
InChI:
InChI=1S/C10H16N2O/c1-4-6-9-11-7(3)10(12-9)8(13)5-2/h4-6H2,1-3H3,(H,11,12)
InChI Key:
BEMDMAYFDBGPDH-UHFFFAOYSA-N
SMILES:
CCCc1[nH]c(c(n1)C(=O)CC)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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