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2-(2-Cyanoethyl)-3-isoxazolin-5-one

2-(2-Cyanoethyl)-3-isoxazolin-5-one structure

CAS No:
51580-99-5
Formula:
C6H6N2O2
Chemical Name:
2-(2-Cyanoethyl)-3-isoxazolin-5-one
Synonyms:
2(5H)-Isoxazolepropanenitrile,5-oxo-;5-Oxo-2(5H)-isoxazolepropanenitrile;2-(2-Cyanoethyl)-3-isoxazolin-5-one;2-Cyanoethylisoxazolin-5-one

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Description

5-Oxo-2(5H)-isoxazolepropanenitrile is a member of isoxazoles.

2-(2-Cyanoethyl)-3-isoxazolin-5-one Basic Attributes

Molecular Weight：

138.12 g/mol

Exact Mass：

138.12

UNII：

4U7QR8U7E9

Characteristics

PSA：

53.3 Å²

Drug Information

MeSH Entry Terms：

2-(2-cyanoethyl)isoxazolin-5-one

Computed Properties

Molecular Weight:138.12
XLogP3:0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:138.042927438
Monoisotopic Mass:138.042927438
Topological Polar Surface Area:53.3
Heavy Atom Count:10
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(2-Cyanoethyl)-3-isoxazolin-5-one

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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