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Home > Nitro Compounds > 78243-32-0
78243-32-0 | 2-[4-(ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid
CAS No: 78243-32-0 Catalog No: AG00IQQW MDL No:MFCD03791236
Product Description
Catalog Number:
AG00IQQW
Chemical Name:
2-[4-(ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid
CAS Number:
78243-32-0
Molecular Formula:
C15H18N2O6
Molecular Weight:
322.3132
MDL Number:
MFCD03791236
IUPAC Name:
2-(4-ethoxycarbonylpiperidin-1-yl)-5-nitrobenzoic acid
InChI:
InChI=1S/C15H18N2O6/c1-2-23-15(20)10-5-7-16(8-6-10)13-4-3-11(17(21)22)9-12(13)14(18)19/h3-4,9-10H,2,5-8H2,1H3,(H,18,19)
InChI Key:
FQZBRAJJMZZXSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)c1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.317g/mol
Monoisotopic Mass:
322.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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