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3,4-Heptanedione

3,4-Heptanedione structure

CAS No:
13706-89-3
Formula:
C7H12O2
Chemical Name:
3,4-Heptanedione
Synonyms:
3,4-Heptanedione;1-Propyl-1,2-butanedione

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Description

3,4-Heptanedione is an alpha-diketone.

3,4-Heptanedione Basic Attributes

Molecular Weight：

128.16900

Exact Mass：

128.17

EC Number：

237-242-3

UNII：

4K84DB0XPA

DSSTox ID：

DTXSID3065588

Characteristics

PSA：

34.14000

XLogP3：

1.33470

Density：

0.926g/cm3

Boiling Point：

147-149 °C

Flash Point：

45ºC

Refractive Index：

1.413

Water Solubility：

7.141e+004 mg/L @ 25 °C (est)

Vapor Pressure：

3.98mmHg at 25°C

3,4-Heptanedione Use and Manufacturing

Manufacturing Info：

3,4-Heptanedione: INACTIVE

Computed Properties

Molecular Weight:128.17
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:9
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Heptanedione

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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