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827300-16-3

827300-16-3 | 2(3H)-Furanone, dihydro-5-nitro-

CAS No: 827300-16-3 Catalog No: AG0059T5 MDL No:

Product Description

Catalog Number:
AG0059T5
Chemical Name:
2(3H)-Furanone, dihydro-5-nitro-
CAS Number:
827300-16-3
Molecular Formula:
C4H5NO4
Molecular Weight:
131.0868
IUPAC Name:
5-nitrooxolan-2-one
InChI:
InChI=1S/C4H5NO4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2
InChI Key:
NZOACZIDPIQOIM-UHFFFAOYSA-N
SMILES:
O=C1CCC(O1)[N+](=O)[O-]

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.022g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.087g/mol
Monoisotopic Mass:
131.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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