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Home > Nitro Compounds > 15052-27-4
15052-27-4 | 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(methyl-aci-nitro)-
CAS No: 15052-27-4 Catalog No: AG001MP5 MDL No:
Product Description
Catalog Number:
AG001MP5
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(methyl-aci-nitro)-
CAS Number:
15052-27-4
Molecular Formula:
C15H23NO3
Molecular Weight:
265.3480
IUPAC Name:
2,6-ditert-butyl-4-[methoxy(oxo)azaniumyl]phenolate
InChI:
InChI=1S/C15H23NO3/c1-14(2,3)11-8-10(16(18)19-7)9-12(13(11)17)15(4,5)6/h8-9H,1-7H3
InChI Key:
DDNMJFLOMBXHCP-UHFFFAOYSA-N
SMILES:
CO[N+](=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)[O-]
NSC Number:
226274
Properties
Complexity:
303
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:
4
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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