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Home > Nitro Compounds > 127129-72-0
127129-72-0 | Cyclopentanone, 3-(1-nitroethyl)-
CAS No: 127129-72-0 Catalog No: AG000WPS MDL No:
Product Description
Catalog Number:
AG000WPS
Chemical Name:
Cyclopentanone, 3-(1-nitroethyl)-
CAS Number:
127129-72-0
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
IUPAC Name:
3-(1-nitroethyl)cyclopentan-1-one
InChI:
InChI=1S/C7H11NO3/c1-5(8(10)11)6-2-3-7(9)4-6/h5-6H,2-4H2,1H3
InChI Key:
PRPVDGJMUOTRMM-UHFFFAOYSA-N
SMILES:
O=C1CCC(C1)C([N+](=O)[O-])C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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