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Home > Indoles and Oxindole > 156232-54-1
156232-54-1 | Spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one, 5'-nitro-
CAS No: 156232-54-1 Catalog No: AG001OLM MDL No:MFCD15071404
Product Description
Catalog Number:
AG001OLM
Chemical Name:
Spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one, 5'-nitro-
CAS Number:
156232-54-1
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD15071404
IUPAC Name:
5-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one
InChI:
InChI=1S/C13H14N2O3/c16-12-13(6-2-1-3-7-13)10-8-9(15(17)18)4-5-11(10)14-12/h4-5,8H,1-3,6-7H2,(H,14,16)
InChI Key:
ISKPNMFYPKTROP-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C31CCCCC3)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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