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Home > Nitro Compounds > 2060053-84-9
2060053-84-9 | 2,2-dimethyl-3-(nitromethyl)oxirane
CAS No: 2060053-84-9 Catalog No: AG01BVWR MDL No:MFCD30476531
Product Description
Catalog Number:
AG01BVWR
Chemical Name:
2,2-dimethyl-3-(nitromethyl)oxirane
CAS Number:
2060053-84-9
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
MDL Number:
MFCD30476531
IUPAC Name:
2,2-dimethyl-3-(nitromethyl)oxirane
InChI:
InChI=1S/C5H9NO3/c1-5(2)4(9-5)3-6(7)8/h4H,3H2,1-2H3
InChI Key:
LGECJRHONVHFNX-UHFFFAOYSA-N
SMILES:
CC1(C)OC1C[N+](=O)[O-]
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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