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Home > Nitro Compounds > 942474-88-6
942474-88-6 | 2-[4-(Ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid
CAS No: 942474-88-6 Catalog No: AG01EZGI MDL No:
Product Description
Catalog Number:
AG01EZGI
Chemical Name:
2-[4-(Ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid
CAS Number:
942474-88-6
Molecular Formula:
C15H18N2O6
Molecular Weight:
322.3132
IUPAC Name:
2-(4-ethoxycarbonylpiperidin-1-yl)-3-nitrobenzoic acid
InChI:
InChI=1S/C15H18N2O6/c1-2-23-15(20)10-6-8-16(9-7-10)13-11(14(18)19)4-3-5-12(13)17(21)22/h3-5,10H,2,6-9H2,1H3,(H,18,19)
InChI Key:
ZFWVQQDYVKGWJS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)c1c(cccc1[N+](=O)[O-])C(=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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