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130178-54-0 | 2-Piperidinecarboxylic acid, 1-[(2-nitrophenyl)sulfonyl]-
CAS No: 130178-54-0 Catalog No: AG000U3B MDL No:MFCD00720132
Product Description
Catalog Number:
AG000U3B
Chemical Name:
2-Piperidinecarboxylic acid, 1-[(2-nitrophenyl)sulfonyl]-
CAS Number:
130178-54-0
Molecular Formula:
C12H14N2O6S
Molecular Weight:
314.3144
MDL Number:
MFCD00720132
IUPAC Name:
1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylic acid
InChI:
InChI=1S/C12H14N2O6S/c15-12(16)10-6-3-4-8-13(10)21(19,20)11-7-2-1-5-9(11)14(17)18/h1-2,5,7,10H,3-4,6,8H2,(H,15,16)
InChI Key:
HBPKKCWUSYDGFM-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.312g/mol
Monoisotopic Mass:
314.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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