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17826-70-9

17826-70-9 | 3-Pyrazolidinone, 1-(phenylmethyl)-

CAS No: 17826-70-9 Catalog No: AG0025VX MDL No:MFCD00232080

Product Description

Catalog Number:
AG0025VX
Chemical Name:
3-Pyrazolidinone, 1-(phenylmethyl)-
CAS Number:
17826-70-9
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD00232080
IUPAC Name:
1-benzylpyrazolidin-3-one
InChI:
InChI=1S/C10H12N2O/c13-10-6-7-12(11-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChI Key:
NDZNPLRKGDSLQX-UHFFFAOYSA-N
SMILES:
O=C1CCN(N1)Cc1ccccc1

Properties

Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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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