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Home > Nitro Compounds > 176793-53-6
176793-53-6 | 2(3H)-Furanone, dihydro-4-(1-methyl-1-nitroethyl)-
CAS No: 176793-53-6 Catalog No: AG0024WT MDL No:
Product Description
Catalog Number:
AG0024WT
Chemical Name:
2(3H)-Furanone, dihydro-4-(1-methyl-1-nitroethyl)-
CAS Number:
176793-53-6
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
4-(2-nitropropan-2-yl)oxolan-2-one
InChI:
InChI=1S/C7H11NO4/c1-7(2,8(10)11)5-3-6(9)12-4-5/h5H,3-4H2,1-2H3
InChI Key:
RYCYEHGQUZLVQW-UHFFFAOYSA-N
SMILES:
O=C1OCC(C1)C([N+](=O)[O-])(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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