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Home > Nitro Compounds > 478041-13-3
478041-13-3 | 2,2-diacetyl-3-(2-nitrophenyl)cyclopropane-1,1-dicarbonitrile
CAS No: 478041-13-3 Catalog No: AG00IPNN MDL No:MFCD02186170
Product Description
Catalog Number:
AG00IPNN
Chemical Name:
2,2-diacetyl-3-(2-nitrophenyl)cyclopropane-1,1-dicarbonitrile
CAS Number:
478041-13-3
Molecular Formula:
C15H11N3O4
Molecular Weight:
297.2655
MDL Number:
MFCD02186170
IUPAC Name:
2,2-diacetyl-3-(2-nitrophenyl)cyclopropane-1,1-dicarbonitrile
InChI:
InChI=1S/C15H11N3O4/c1-9(19)15(10(2)20)13(14(15,7-16)8-17)11-5-3-4-6-12(11)18(21)22/h3-6,13H,1-2H3
InChI Key:
IGTIMEAPDRFRCL-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C(C1(C(=O)C)C(=O)C)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.27g/mol
Monoisotopic Mass:
297.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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