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3-(4-nitrobenzoyl)pentane-2,4-dione

3-(4-nitrobenzoyl)pentane-2,4-dione structure

CAS No:
19222-28-7
Formula:
C12H11NO5
Chemical Name:
3-(4-nitrobenzoyl)pentane-2,4-dione
Synonyms:
3-(4-nitro-benzoyl)-pentane-2,4-dione;ZINC104374993;3-(4-Nitrobenzoyl)-2,4-pentanedione;19222-28-7

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3-(4-nitrobenzoyl)pentane-2,4-dione Basic Attributes

Molecular Weight：

249.22 g/mol

Exact Mass：

249.06372245 g/mol

Characteristics

PSA：

97 Å²

XLogP3：

2.0949

Melting Point：

102 - 104 °C (heptane)

Computed Properties

Molecular Weight:249.22
XLogP3:1.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:249.06372245
Monoisotopic Mass:249.06372245
Topological Polar Surface Area:97
Heavy Atom Count:18
Complexity:362
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-nitrobenzoyl)pentane-2,4-dione

Basic Attributes
Characteristics
Computed Properties

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