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2,1-Benzisoxazol-3(1H)-one

2,1-Benzisoxazol-3(1H)-one structure

CAS No:
31499-90-8
Formula:
C7H5NO2
Chemical Name:
2,1-Benzisoxazol-3(1H)-one
Synonyms:
2,1-Benzisoxazol-3(1H)-one

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2,1-Benzisoxazol-3(1H)-one Basic Attributes

Molecular Weight：

135.12

Exact Mass：

135.032028402 g/mol

NSC Number：

49239

DSSTox ID：

DTXSID30328729

Characteristics

PSA：

38.3 Å²

Density：

1.323±0.06 g/cm3

Melting Point：

112 °C

Boiling Point：

240.8±23.0 °C(Predicted)

PKA：

-1.46±0.20

Computed Properties

Molecular Weight:135.12
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:135.032028402
Monoisotopic Mass:135.032028402
Topological Polar Surface Area:38.3
Heavy Atom Count:10
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,1-Benzisoxazol-3(1H)-one

Basic Attributes
Characteristics
Computed Properties

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