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3-[(3-Nitrophenyl)methylene]-2,4-pentanedione

3-[(3-Nitrophenyl)methylene]-2,4-pentanedione structure

CAS No:
29197-19-1
Formula:
C12H11NO4
Chemical Name:
3-[(3-Nitrophenyl)methylene]-2,4-pentanedione
Synonyms:
2,4-Pentanedione,3-[(3-nitrophenyl)methylene]-;2,4-Pentanedione,3-(m-nitrobenzylidene)-;3-[(3-Nitrophenyl)methylene]-2,4-pentanedione;3-(m-Nitrobenzylidene)acetylacetone;1-Acetyl-1-(3-nitrobenzylidene)acetone;3-(3-Nitrobenzylidene)-2,4-pentanedione;NSC 46599;NSC 637179;3-[(3-Nitrophenyl)methylidene]pentane-2,4-dione

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3-[(3-Nitrophenyl)methylene]-2,4-pentanedione Basic Attributes

Molecular Weight：

233.22000

Exact Mass：

233.22

NSC Number：

637179|46599

DSSTox ID：

DTXSID90183457

HScode：

2914700090

Characteristics

PSA：

79.96000

XLogP3：

2.67940

Density：

1.255g/cm3

Melting Point：

95-97 °C @ Solvent: Ligroine, Ethyl acetate

Boiling Point：

442.6ºC

Flash Point：

223.1ºC

Refractive Index：

1.587

Vapor Pressure：

4.94E-08mmHg at 25°C

Computed Properties

Molecular Weight:233.22
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:233.06880783
Monoisotopic Mass:233.06880783
Topological Polar Surface Area:80
Heavy Atom Count:17
Complexity:351
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(3-Nitrophenyl)methylene]-2,4-pentanedione

Basic Attributes
Characteristics
Computed Properties

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