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1-Hepten-3-one

1-Hepten-3-one structure

CAS No:
2918-13-0
Formula:
C7H12O
Chemical Name:
1-Hepten-3-one
Synonyms:
1-Hepten-3-one;Vinyl butyl ketone;Butyl vinyl ketone;Vinyl pentanone

Description

ChEBI: An enone that is hept-1-ene substituted by an oxo group at position 3.

1-hepten-3-one is an enone that is hept-1-ene substituted by an oxo group at position 3. It has a role as a fungal metabolite.

1-Hepten-3-one Basic Attributes

Molecular Weight：

112.172

Exact Mass：

112.17

DSSTox ID：

DTXSID50183438

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

1.93170

Density：

0.9117 g/cm³ @ Temp: 12 °C

Boiling Point：

59 °C @ Press: 25 Torr

Flash Point：

44.1ºC

1-Hepten-3-one Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Computed Properties

Molecular Weight:112.17
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:84.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Hepten-3-one

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

1-Hepten-3-one

SDS

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