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89860-65-1 | 2-Piperidinecarboxylic acid, 1-(2-nitrophenyl)-
CAS No: 89860-65-1 Catalog No: AG003XCL MDL No:MFCD08445182
Product Description
Catalog Number:
AG003XCL
Chemical Name:
2-Piperidinecarboxylic acid, 1-(2-nitrophenyl)-
CAS Number:
89860-65-1
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD08445182
IUPAC Name:
1-(2-nitrophenyl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C12H14N2O4/c15-12(16)11-7-3-4-8-13(11)9-5-1-2-6-10(9)14(17)18/h1-2,5-6,11H,3-4,7-8H2,(H,15,16)
InChI Key:
DIIOPDWAPOGYKM-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1c1ccccc1[N+](=O)[O-]
NSC Number:
627277
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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