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Home > Aldehydes > 826998-93-0
826998-93-0 | 2-(4-Methyl-piperidin-1-yl)-5-nitro-benzaldehyde
CAS No: 826998-93-0 Catalog No: AG01EXKC MDL No:
Product Description
Catalog Number:
AG01EXKC
Chemical Name:
2-(4-Methyl-piperidin-1-yl)-5-nitro-benzaldehyde
CAS Number:
826998-93-0
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
2-(4-methylpiperidin-1-yl)-5-nitrobenzaldehyde
InChI:
InChI=1S/C13H16N2O3/c1-10-4-6-14(7-5-10)13-3-2-12(15(17)18)8-11(13)9-16/h2-3,8-10H,4-7H2,1H3
InChI Key:
CJWGGGXUHNSPKD-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1N1CCC(CC1)C)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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