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Ethanone,1-(4-isoxazolyl)-(9CI)

Ethanone,1-(4-isoxazolyl)-(9CI) structure

CAS No:
83259-37-4
Formula:
C5H5NO2
Chemical Name:
Ethanone,1-(4-isoxazolyl)-(9CI)
Synonyms:
4-acetylisoxazole;1-(isoxazol-4-yl);1-(4-Isoxazolyl)ethanone;1-(Isoxazol-4-yl)ethanone;Ethanone, 1-(4-isoxazolyl)- (9CI)

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Ethanone,1-(4-isoxazolyl)-(9CI) Basic Attributes

Molecular Weight：

111.0987

Exact Mass：

111.032028

DSSTox ID：

DTXSID90609687

HScode：

2934999090

Characteristics

PSA：

43.10000

XLogP3：

-0.47

Density：

1.1±0.1 g/cm3

Boiling Point：

205.5±13.0 °C at 760 mmHg

Flash Point：

78.1±19.8 °C

Refractive Index：

1.462

Computed Properties

Molecular Weight:111.10
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:111.032028402
Monoisotopic Mass:111.032028402
Topological Polar Surface Area:43.1
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethanone,1-(4-isoxazolyl)-(9CI)

Basic Attributes
Characteristics
Computed Properties

Ethanone,1-(4-isoxazolyl)-(9CI)

SDS

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