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880093-94-7 | 1-Piperazinecarboxylic acid, 3-oxo-, 4-nitrophenyl ester
CAS No: 880093-94-7 Catalog No: AG004KHO MDL No:
Product Description
Catalog Number:
AG004KHO
Chemical Name:
1-Piperazinecarboxylic acid, 3-oxo-, 4-nitrophenyl ester
CAS Number:
880093-94-7
Molecular Formula:
C11H11N3O5
Molecular Weight:
265.2221
IUPAC Name:
(4-nitrophenyl) 3-oxopiperazine-1-carboxylate
InChI:
InChI=1S/C11H11N3O5/c15-10-7-13(6-5-12-10)11(16)19-9-3-1-8(2-4-9)14(17)18/h1-4H,5-7H2,(H,12,15)
InChI Key:
IAQKVBNCICERIR-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.225g/mol
Monoisotopic Mass:
265.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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