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1000018-70-1 | 3-Piperidinecarboxylic acid, 1-(2-carboxy-4-nitrophenyl)-, 3-ethyl ester
CAS No: 1000018-70-1 Catalog No: AG00008V MDL No:MFCD09064901
Product Description
Catalog Number:
AG00008V
Chemical Name:
3-Piperidinecarboxylic acid, 1-(2-carboxy-4-nitrophenyl)-, 3-ethyl ester
CAS Number:
1000018-70-1
Molecular Formula:
C15H18N2O6
Molecular Weight:
322.3132
MDL Number:
MFCD09064901
IUPAC Name:
2-(3-ethoxycarbonylpiperidin-1-yl)-5-nitrobenzoic acid
InChI:
InChI=1S/C15H18N2O6/c1-2-23-15(20)10-4-3-7-16(9-10)13-6-5-11(17(21)22)8-12(13)14(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)
InChI Key:
NHEAJFNQCNBDTF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)c1ccc(cc1C(=O)O)[N+](=O)[O-]
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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