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4,4-Dimethylpent-1-en-3-one

4,4-Dimethylpent-1-en-3-one structure

CAS No:
2177-30-2
Formula:
C7H12O
Chemical Name:
4,4-Dimethylpent-1-en-3-one
Synonyms:
4,4-dimethylpent-1-en-3-one;4,4-Dimethyl-1-penten-3-one;4,4-dimethyl-pent-1-en-3-one;1-Penten-3-one, 4,4-dimethyl-;t-butyl vinyl ketone;SCHEMBL1142747;2,2-dimethylpent-4-en-3-one;SCHEMBL22448230;DTXSID20176170;ZINC33505710

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4,4-Dimethylpent-1-en-3-one Basic Attributes

Molecular Weight：

112.16958

Exact Mass：

112.08900

DSSTox ID：

DTXSID20176170

Characteristics

PSA：

17.1

XLogP3：

1.78760

Density：

0.822g/cm3

Boiling Point：

140.1ºC at 760 mmHg

Flash Point：

35.1ºC

Refractive Index：

1.415

Computed Properties

Molecular Weight:112.17
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4-Dimethylpent-1-en-3-one

Basic Attributes
Characteristics
Computed Properties

4,4-Dimethylpent-1-en-3-one

SDS

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