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Home > Nitro Compounds > 61343-11-1
61343-11-1 | 2-(3-nitrophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CAS No: 61343-11-1 Catalog No: AG019X7A MDL No:MFCD13196028
Product Description
Catalog Number:
AG019X7A
Chemical Name:
2-(3-nitrophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CAS Number:
61343-11-1
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
MDL Number:
MFCD13196028
IUPAC Name:
2-(3-nitrophenyl)-2-azaspiro[4.4]nonane-1,3-dione
InChI:
InChI=1S/C14H14N2O4/c17-12-9-14(6-1-2-7-14)13(18)15(12)10-4-3-5-11(8-10)16(19)20/h3-5,8H,1-2,6-7,9H2
InChI Key:
KLNLVLSTOFPEFU-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(=O)N1c1cccc(c1)[N+](=O)[O-])CCCC2
NSC Number:
290651
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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