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Home > Nitro Compounds > 88426-92-0
88426-92-0 | 2(3H)-Furanone, dihydro-3-methyl-3-(2-nitrophenyl)-
CAS No: 88426-92-0 Catalog No: AG004KFU MDL No:
Product Description
Catalog Number:
AG004KFU
Chemical Name:
2(3H)-Furanone, dihydro-3-methyl-3-(2-nitrophenyl)-
CAS Number:
88426-92-0
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
3-methyl-3-(2-nitrophenyl)oxolan-2-one
InChI:
InChI=1S/C11H11NO4/c1-11(6-7-16-10(11)13)8-4-2-3-5-9(8)12(14)15/h2-5H,6-7H2,1H3
InChI Key:
JXUQCOFRYAEVLT-UHFFFAOYSA-N
SMILES:
O=C1OCCC1(C)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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