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Home > Nitro Compounds > 89718-57-0
89718-57-0 | Cyclopentanone, 2-(2-methyl-2-nitropropyl)-
CAS No: 89718-57-0 Catalog No: AG0042KR MDL No:
Product Description
Catalog Number:
AG0042KR
Chemical Name:
Cyclopentanone, 2-(2-methyl-2-nitropropyl)-
CAS Number:
89718-57-0
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
2-(2-methyl-2-nitropropyl)cyclopentan-1-one
InChI:
InChI=1S/C9H15NO3/c1-9(2,10(12)13)6-7-4-3-5-8(7)11/h7H,3-6H2,1-2H3
InChI Key:
SPMQNIGXTYRZIO-UHFFFAOYSA-N
SMILES:
O=C1CCCC1CC([N+](=O)[O-])(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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