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31774-51-3 | 2,4-Pentanedione, 3-(1,3-dimethyl-2-imidazolidinylidene)-
CAS No: 31774-51-3 Catalog No: AG007INV MDL No:
Product Description
Catalog Number:
AG007INV
Chemical Name:
2,4-Pentanedione, 3-(1,3-dimethyl-2-imidazolidinylidene)-
CAS Number:
31774-51-3
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
IUPAC Name:
3-(1,3-dimethylimidazolidin-2-ylidene)pentane-2,4-dione
InChI:
InChI=1S/C10H16N2O2/c1-7(13)9(8(2)14)10-11(3)5-6-12(10)4/h5-6H2,1-4H3
InChI Key:
MJKFVUZAWAMVRI-UHFFFAOYSA-N
SMILES:
CC(=O)C(=C1N(C)CCN1C)C(=O)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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