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Home > Nitro Compounds > 30417-87-9
30417-87-9 | 4-Piperidinone, 1-methyl-, O-(4-nitrophenyl)oxime
CAS No: 30417-87-9 Catalog No: AG00302N MDL No:
Product Description
Catalog Number:
AG00302N
Chemical Name:
4-Piperidinone, 1-methyl-, O-(4-nitrophenyl)oxime
CAS Number:
30417-87-9
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
IUPAC Name:
1-methyl-N-(4-nitrophenoxy)piperidin-4-imine
InChI:
InChI=1S/C12H15N3O3/c1-14-8-6-10(7-9-14)13-18-12-4-2-11(3-5-12)15(16)17/h2-5H,6-9H2,1H3
InChI Key:
VXZVTCWJAAIQDA-UHFFFAOYSA-N
SMILES:
CN1CCC(=NOc2ccc(cc2)[N+](=O)[O-])CC1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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