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2-5-dimethylbutyrophenone

2-5-dimethylbutyrophenone structure

CAS No:
35031-53-9
Formula:
C12H16O
Chemical Name:
2-5-dimethylbutyrophenone
Synonyms:
2-5-dimethylbutyrophenone;1-(2,5-dimethylphenyl)butan-1-one;1,4-Dimethyl-2-butyrylbenzene;2,5-Dimethylphenylpropyl ketone

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2-5-dimethylbutyrophenone Basic Attributes

Molecular Weight：

176.26

Exact Mass：

176.12000

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

3.28620

Density：

0.944±0.06 g/cm3(Predicted)

Melting Point：

88-93 °C

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:176.25
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:176.120115130
Monoisotopic Mass:176.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-5-dimethylbutyrophenone

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-5-dimethylbutyrophenone

SDS

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