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13292-56-3 | 3-Pyrazolidinone, 5-methyl-2-phenyl-
CAS No: 13292-56-3 Catalog No: AG0011E6 MDL No:
Product Description
Catalog Number:
AG0011E6
Chemical Name:
3-Pyrazolidinone, 5-methyl-2-phenyl-
CAS Number:
13292-56-3
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
5-methyl-2-phenylpyrazolidin-3-one
InChI:
InChI=1S/C10H12N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChI Key:
NSVAOQFPUMLQNO-UHFFFAOYSA-N
SMILES:
CC1NN(C(=O)C1)c1ccccc1
Properties
Complexity:
199
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:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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