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Home > Imidazoles > 86919-74-6
86919-74-6 | 2,4-Pentanedione, 3-(2-imidazolidinylidene)-
CAS No: 86919-74-6 Catalog No: AG004I5E MDL No:
Product Description
Catalog Number:
AG004I5E
Chemical Name:
2,4-Pentanedione, 3-(2-imidazolidinylidene)-
CAS Number:
86919-74-6
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one
InChI:
InChI=1S/C8H12N2O2/c1-5(11)7(6(2)12)8-9-3-4-10-8/h11H,3-4H2,1-2H3,(H,9,10)
InChI Key:
AHIKSGOVCHYTTP-UHFFFAOYSA-N
SMILES:
CC(=O)C(=C1NCCN1)C(=O)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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