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75055-73-1 | 1,3-Butanedione,1-(4-pyridinyl)-
CAS No: 75055-73-1 Catalog No: AG005RKZ MDL No:MFCD07438022
Product Description
Catalog Number:
AG005RKZ
Chemical Name:
1,3-Butanedione,1-(4-pyridinyl)-
CAS Number:
75055-73-1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD07438022
IUPAC Name:
1-pyridin-4-ylbutane-1,3-dione
InChI:
InChI=1S/C9H9NO2/c1-7(11)6-9(12)8-2-4-10-5-3-8/h2-5H,6H2,1H3
InChI Key:
BZZPMCZQQJWNTB-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)CC(=O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Two-step assembly of multinuclear metallacycles with half-sandwich Ir, Rh, and Ru fragments for counteranion encapsulation. | Inorganic chemistry 20100301 |
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