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Home > Nitro Compounds > 76813-89-3
76813-89-3 | 2-Methyl-2-nitropropyl methanesulfonate
CAS No: 76813-89-3 Catalog No: AG01E9UX MDL No:
Product Description
Catalog Number:
AG01E9UX
Chemical Name:
2-Methyl-2-nitropropyl methanesulfonate
CAS Number:
76813-89-3
IUPAC Name:
(2-methyl-2-nitropropyl) methanesulfonate
InChI:
InChI=1S/C5H11NO5S/c1-5(2,6(7)8)4-11-12(3,9)10/h4H2,1-3H3
InChI Key:
ITLNVNMYSVRTHM-UHFFFAOYSA-N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.205g/mol
Monoisotopic Mass:
197.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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