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24632-58-4

24632-58-4 | 1-Piperazineacetic acid, 4-acetyl-, 2-[(5-nitro-2-furanyl)methylene]hydrazide

CAS No: 24632-58-4 Catalog No: AG002OVV MDL No:

Product Description

Catalog Number:
AG002OVV
Chemical Name:
1-Piperazineacetic acid, 4-acetyl-, 2-[(5-nitro-2-furanyl)methylene]hydrazide
CAS Number:
24632-58-4
Molecular Formula:
C13H17N5O5
Molecular Weight:
323.3046
IUPAC Name:
2-(4-acetylpiperazin-1-yl)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
InChI:
InChI=1S/C13H17N5O5/c1-10(19)17-6-4-16(5-7-17)9-12(20)15-14-8-11-2-3-13(23-11)18(21)22/h2-3,8H,4-7,9H2,1H3,(H,15,20)
InChI Key:
IOYQQPACAXCJIN-UHFFFAOYSA-N
SMILES:
O=C(CN1CCN(CC1)C(=O)C)NN=Cc1ccc(o1)[N+](=O)[O-]

Properties

Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.123g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.309g/mol
Monoisotopic Mass:
323.123g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
-0.6  

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