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13047-12-6 | 3-Pyrazolidinone, 5-phenyl-
CAS No: 13047-12-6 Catalog No: AG000UHB MDL No:MFCD00567082
Product Description
Catalog Number:
AG000UHB
Chemical Name:
3-Pyrazolidinone, 5-phenyl-
CAS Number:
13047-12-6
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD00567082
IUPAC Name:
5-phenylpyrazolidin-3-one
InChI:
InChI=1S/C9H10N2O/c12-9-6-8(10-11-9)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
InChI Key:
QSCDISPKCBTNDK-UHFFFAOYSA-N
SMILES:
O=C1NNC(C1)c1ccccc1
NSC Number:
109955
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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