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59543-81-6 | 4-IMIDAZOL-1-YL-BUTAN-2-ONE
CAS No: 59543-81-6 Catalog No: AG00E9CF MDL No:
Product Description
Catalog Number:
AG00E9CF
Chemical Name:
4-IMIDAZOL-1-YL-BUTAN-2-ONE
CAS Number:
59543-81-6
IUPAC Name:
4-imidazol-1-ylbutan-2-one
InChI:
InChI=1S/C7H10N2O/c1-7(10)2-4-9-5-3-8-6-9/h3,5-6H,2,4H2,1H3
InChI Key:
PWEPJVBKAXVQLX-UHFFFAOYSA-N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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