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1-(3-Furyl)-4-methyl-1-pentanone

1-(3-Furyl)-4-methyl-1-pentanone structure

CAS No:
553-84-4
Formula:
C10H14O2
Chemical Name:
1-(3-Furyl)-4-methyl-1-pentanone
Synonyms:
1-Pentanone,1-(3-furanyl)-4-methyl-;1-Pentanone,1-(3-furyl)-4-methyl-;1-(3-Furanyl)-4-methyl-1-pentanone;Perilla ketone;1-(3-Furyl)-4-methyl-1-pentanone;3-(4-Methylpentanoyl)furan;NSC 348407

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1-(3-Furyl)-4-methyl-1-pentanone Basic Attributes

Molecular Weight：

166.21700

Exact Mass：

166.22

UNII：

CV69S6Y94V

NSC Number：

348407

DSSTox ID：

DTXSID10203828

HScode：

2932190090

Characteristics

PSA：

30.21000

XLogP3：

2.89850

Density：

0.9842 g/cm³ @ Temp: 24 °C

Boiling Point：

196 °C

Flash Point：

96.8ºC

Refractive Index：

1.465

Water Solubility：

281.5 mg/L @ 25 °C (est)

Toxicity：

LD50 in female, male mice, male rats (mg/kg): 2.5, 6, 10 i.p. (Wilson)

Drug Information

MeSH Entry Terms：

perilla ketone

Computed Properties

Molecular Weight:166.22
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:166.099379685
Monoisotopic Mass:166.099379685
Topological Polar Surface Area:30.2
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-Furyl)-4-methyl-1-pentanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

1-(3-Furyl)-4-methyl-1-pentanone

SDS

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