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4,5-Dimethylisoxazol-3(2H)-one

4,5-Dimethylisoxazol-3(2H)-one structure

CAS No:
930-83-6
Formula:
C5H7NO2
Chemical Name:
4,5-Dimethylisoxazol-3(2H)-one
Synonyms:
3-Isoxazolol, 4,5-dimethyl-;3-Hydroxy-4,5-dimethylisoxazole;Dimethyl-1,2-oxazol-3-ol;4,5-Dimethyl-3-hydroxyisoxazole;4,5-Dimethylisoxazol-3(2H)-one;4,5-dimethyl-1,2-oxazol-3-one;NSC151713;3(2H)-Isoxazolone, 4,5-dimethyl-;3-Isoxazolol,5-dimethyl-;4,5-dimethyl-3-isoxazolol

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4,5-Dimethylisoxazol-3(2H)-one Basic Attributes

Molecular Weight：

113.11500

Exact Mass：

113.04800

NSC Number：

151713

DSSTox ID：

DTXSID60302512

HScode：

2934999090

Characteristics

PSA：

46.26000

XLogP3：

0.99700

Density：

1.113g/cm3

Boiling Point：

238ºC at 760 mmHg

Flash Point：

97.7ºC

Refractive Index：

1.462

Computed Properties

Molecular Weight:113.11
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:113.047678466
Monoisotopic Mass:113.047678466
Topological Polar Surface Area:38.3
Heavy Atom Count:8
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,5-Dimethylisoxazol-3(2H)-one

Basic Attributes
Characteristics
Computed Properties

4,5-Dimethylisoxazol-3(2H)-one

SDS

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