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Home > Nitro Compounds > 2059975-01-6
2059975-01-6 | 4-(3-nitrophenyl)-2-azaspiro[4.4]nonan-1-one
CAS No: 2059975-01-6 Catalog No: AG01BZUR MDL No:MFCD30486871
Product Description
Catalog Number:
AG01BZUR
Chemical Name:
4-(3-nitrophenyl)-2-azaspiro[4.4]nonan-1-one
CAS Number:
2059975-01-6
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
MDL Number:
MFCD30486871
IUPAC Name:
4-(3-nitrophenyl)-2-azaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C14H16N2O3/c17-13-14(6-1-2-7-14)12(9-15-13)10-4-3-5-11(8-10)16(18)19/h3-5,8,12H,1-2,6-7,9H2,(H,15,17)
InChI Key:
QMEBXPWZLFWKJR-UHFFFAOYSA-N
SMILES:
O=C1NCC(C21CCCC2)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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