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Home > Nitro Compounds > 942474-36-4
942474-36-4 | 4-[3-(ETHOXYCARBONYL)PIPERIDIN-1-YL]-3-NITROBENZOIC ACID
CAS No: 942474-36-4 Catalog No: AG00H1VI MDL No:MFCD09027733
Product Description
Catalog Number:
AG00H1VI
Chemical Name:
4-[3-(ETHOXYCARBONYL)PIPERIDIN-1-YL]-3-NITROBENZOIC ACID
CAS Number:
942474-36-4
MDL Number:
MFCD09027733
IUPAC Name:
4-(3-ethoxycarbonylpiperidin-1-yl)-3-nitrobenzoic acid
InChI:
InChI=1S/C15H18N2O6/c1-2-23-15(20)11-4-3-7-16(9-11)12-6-5-10(14(18)19)8-13(12)17(21)22/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,19)
InChI Key:
GCCRCENIRCAAIE-UHFFFAOYSA-N
Properties
Complexity:
463
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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