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Home > Nitro Compounds > 1665-86-7
1665-86-7 | 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-methyl-4-nitro-
CAS No: 1665-86-7 Catalog No: AG001WRR MDL No:
Product Description
Catalog Number:
AG001WRR
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-methyl-4-nitro-
CAS Number:
1665-86-7
Molecular Formula:
C15H23NO3
Molecular Weight:
265.3480
IUPAC Name:
2,6-ditert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C15H23NO3/c1-13(2,3)10-8-15(7,16(18)19)9-11(12(10)17)14(4,5)6/h8-9H,1-7H3
InChI Key:
XVPLVFIJPIVZIZ-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(C=C1C(C)(C)C)(C)[N+](=O)[O-])C(C)(C)C
NSC Number:
35975
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.353g/mol
Monoisotopic Mass:
265.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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