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3-Octyl-2,4-pentanedione

3-Octyl-2,4-pentanedione structure

CAS No:
13195-73-8
Formula:
C13H24O2
Chemical Name:
3-Octyl-2,4-pentanedione
Synonyms:
2,4-Pentanedione,3-octyl-;3-Octyl-2,4-pentanedione;3-Acetyl-2-undecanone

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3-Octyl-2,4-pentanedione Basic Attributes

Molecular Weight：

212.32800

Exact Mass：

212.33

EC Number：

236-158-4

DSSTox ID：

DTXSID70157277

HScode：

2914190090

Characteristics

PSA：

34.14000

XLogP3：

3.53120

Density：

0.893g/cm3

Boiling Point：

138-141 °C @ Press: 12 Torr

Flash Point：

109.1ºC

Refractive Index：

1.437

Vapor Pressure：

0.00181mmHg at 25°C

Computed Properties

Molecular Weight:212.33
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:212.177630004
Monoisotopic Mass:212.177630004
Topological Polar Surface Area:34.1
Heavy Atom Count:15
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Octyl-2,4-pentanedione

Basic Attributes
Characteristics
Computed Properties

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