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30742-60-0 | Benzaldehyde, 5-nitro-2-(1-piperidinyl)-
CAS No: 30742-60-0 Catalog No: AG00314H MDL No:MFCD00439925
Product Description
Catalog Number:
AG00314H
Chemical Name:
Benzaldehyde, 5-nitro-2-(1-piperidinyl)-
CAS Number:
30742-60-0
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD00439925
IUPAC Name:
5-nitro-2-piperidin-1-ylbenzaldehyde
InChI:
InChI=1S/C12H14N2O3/c15-9-10-8-11(14(16)17)4-5-12(10)13-6-2-1-3-7-13/h4-5,8-9H,1-3,6-7H2
InChI Key:
WPONLEWKUHGAEI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1N1CCCCC1)[N+](=O)[O-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| 5-Nitro-2-(piperidin-1-yl)benzaldehyde. | Acta crystallographica. Section E, Structure reports online 20091101 |
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