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1-(3-Nitrophenyl)-1,3-butanedione

1-(3-Nitrophenyl)-1,3-butanedione structure

CAS No:
5435-66-5
Formula:
C10H9NO4
Chemical Name:
1-(3-Nitrophenyl)-1,3-butanedione
Synonyms:
1,3-Butanedione,1-(3-nitrophenyl)-;1,3-Butanedione,1-(m-nitrophenyl)-;1-(3-Nitrophenyl)-1,3-butanedione;(m-Nitrobenzoyl)acetone;NSC 21485

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1-(3-Nitrophenyl)-1,3-butanedione Basic Attributes

Molecular Weight：

207.18300

Exact Mass：

207.18

NSC Number：

21485

DSSTox ID：

DTXSID10202730

HScode：

2914700090

Characteristics

PSA：

79.96000

XLogP3：

2.27980

Density：

1.271g/cm3

Melting Point：

114-115 °C @ Solvent: Ethanol

Boiling Point：

311ºC at 760mmHg

Flash Point：

141.5ºC

Refractive Index：

1.552

Computed Properties

Molecular Weight:207.18
XLogP3:1.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:207.05315777
Monoisotopic Mass:207.05315777
Topological Polar Surface Area:80
Heavy Atom Count:15
Complexity:282
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-Nitrophenyl)-1,3-butanedione

Basic Attributes
Characteristics
Computed Properties

1-(3-Nitrophenyl)-1,3-butanedione

SDS

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