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1-(3,4,5-trimethoxyphenyl)butane-1,3-dione

1-(3,4,5-trimethoxyphenyl)butane-1,3-dione structure

CAS No:
100613-36-3
Formula:
C13H16O5
Chemical Name:
1-(3,4,5-trimethoxyphenyl)butane-1,3-dione
Synonyms:
1-(3,4,5-Trimethoxy-phenyl)-butan-1,3-dion; 1,3-Butanedione,1-(3,4,5-trimethoxyphenyl); 1-(3,4,5-trimethoxy-phenyl)-butane-1,3-dione;

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1-(3,4,5-trimethoxyphenyl)butane-1,3-dione Basic Attributes

Molecular Weight：

252.26300

Exact Mass：

252.09977361

DSSTox ID：

DTXSID60478923

Characteristics

PSA：

61.83000

XLogP3：

1.87420

Density：

1.13g/cm3

Boiling Point：

378ºC

Flash Point：

163.6ºC

Refractive Index：

1.499

Vapor Pressure：

1.08E-05mmHg at 25°C

Computed Properties

Molecular Weight:252.26
XLogP3:1.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:252.09977361
Monoisotopic Mass:252.09977361
Topological Polar Surface Area:61.8
Heavy Atom Count:18
Complexity:288
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3,4,5-trimethoxyphenyl)butane-1,3-dione

Basic Attributes
Characteristics
Computed Properties

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