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Home > Nitro Compounds > 81266-47-9
81266-47-9 | 3-(Nitromethyl)cyclopentanone
CAS No: 81266-47-9 Catalog No: AG004YPG MDL No:MFCD11847689
Product Description
Catalog Number:
AG004YPG
Chemical Name:
3-(Nitromethyl)cyclopentanone
CAS Number:
81266-47-9
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
MDL Number:
MFCD11847689
IUPAC Name:
3-(nitromethyl)cyclopentan-1-one
InChI:
InChI=1S/C6H9NO3/c8-6-2-1-5(3-6)4-7(9)10/h5H,1-4H2
InChI Key:
OXUCMXDWKATUHP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC1CCC(=O)C1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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