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20568-22-3 | 3-Butyn-2-one, 4-(dimethylamino)-
CAS No: 20568-22-3 Catalog No: AG002AA6 MDL No:MFCD17013472
Product Description
Catalog Number:
AG002AA6
Chemical Name:
3-Butyn-2-one, 4-(dimethylamino)-
CAS Number:
20568-22-3
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD17013472
IUPAC Name:
4-(dimethylamino)but-3-yn-2-one
InChI:
InChI=1S/C6H9NO/c1-6(8)4-5-7(2)3/h1-3H3
InChI Key:
SVTALSYYDKRJBC-UHFFFAOYSA-N
SMILES:
CN(C#CC(=O)C)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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