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Home > Nitro Compounds > 478041-15-5
478041-15-5 | 6,6-dimethyl-2-(2-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile
CAS No: 478041-15-5 Catalog No: AG00IY19 MDL No:MFCD02571926
Product Description
Catalog Number:
AG00IY19
Chemical Name:
6,6-dimethyl-2-(2-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile
CAS Number:
478041-15-5
Molecular Formula:
C18H15N3O4
Molecular Weight:
337.3294
MDL Number:
MFCD02571926
IUPAC Name:
6,6-dimethyl-1-(2-nitrophenyl)-4,8-dioxospiro[2.5]octane-2,2-dicarbonitrile
InChI:
InChI=1S/C18H15N3O4/c1-16(2)7-13(22)18(14(23)8-16)15(17(18,9-19)10-20)11-5-3-4-6-12(11)21(24)25/h3-6,15H,7-8H2,1-2H3
InChI Key:
ALBJJMHPKSFFTI-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C(C21C(=O)CC(CC2=O)(C)C)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.335g/mol
Monoisotopic Mass:
337.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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