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5,5-Dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-cyclohexanedione

5,5-Dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-cyclohexanedione structure

CAS No:
112404-29-2
Formula:
C16H17NO5
Chemical Name:
5,5-Dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-cyclohexanedione
Synonyms:
1,3-Cyclohexanedione,5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]-;5,5-Dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-cyclohexanedione

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5,5-Dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-cyclohexanedione Basic Attributes

Molecular Weight：

303.314

Exact Mass：

303.31

DSSTox ID：

DTXSID70460652

Characteristics

PSA：

XLogP3：

Melting Point：

198-200 °C @ Solvent: Ethanol, Water

Computed Properties

Molecular Weight:303.31
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:303.11067264
Monoisotopic Mass:303.11067264
Topological Polar Surface Area:97
Heavy Atom Count:22
Complexity:477
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5,5-Dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-cyclohexanedione

Basic Attributes
Characteristics
Computed Properties

5,5-Dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-cyclohexanedione

SDS

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