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3-cyanomethylisoxazole

3-cyanomethylisoxazole structure

CAS No:
55242-83-6
Formula:
C5H4N2O
Chemical Name:
3-cyanomethylisoxazole
Synonyms:
2-(isoxazol-3-yl)acetonitrile;3-Isoxazoleacetonitrile;3-cyanomethylisoxazole

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3-cyanomethylisoxazole Basic Attributes

Molecular Weight：

108

Exact Mass：

108.032

Characteristics

PSA：

49.8

XLogP3：

0.1

Melting Point：

15 - 17 °C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:108.10
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:108.032362755
Monoisotopic Mass:108.032362755
Topological Polar Surface Area:49.8
Heavy Atom Count:8
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: formula for potassium sulfide; propyne; molybdenum disulfide; 2 pentanol; dinitrogen tetroxide formula; magnesium phosphate

Guide of 3-cyanomethylisoxazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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