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17794-42-2 | 2-Piperidinecarboxylic acid, 1-(2,4-dinitrophenyl)-
CAS No: 17794-42-2 Catalog No: AG0025MD MDL No:
Product Description
Catalog Number:
AG0025MD
Chemical Name:
2-Piperidinecarboxylic acid, 1-(2,4-dinitrophenyl)-
CAS Number:
17794-42-2
Molecular Formula:
C12H13N3O6
Molecular Weight:
295.2481
IUPAC Name:
1-(2,4-dinitrophenyl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C12H13N3O6/c16-12(17)10-3-1-2-6-13(10)9-5-4-8(14(18)19)7-11(9)15(20)21/h4-5,7,10H,1-3,6H2,(H,16,17)
InChI Key:
YJWRTHKSJFBLGH-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.251g/mol
Monoisotopic Mass:
295.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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