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4-Isopropyl-3-methyl-1,2-oxazol-5(2H)-one

4-Isopropyl-3-methyl-1,2-oxazol-5(2H)-one structure

CAS No:
29879-46-7
Formula:
C7H11NO2
Chemical Name:
4-Isopropyl-3-methyl-1,2-oxazol-5(2H)-one
Synonyms:
4-isopropyl-3-methyl-2H-isoxazol-5-one; 4-Isopropyl-2-methylnicotinonitrile;

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4-Isopropyl-3-methyl-1,2-oxazol-5(2H)-one Basic Attributes

Molecular Weight：

141.16800

Exact Mass：

141.078978594

Characteristics

PSA：

46.00000

XLogP3：

1.39970

Density：

1.056g/cm3

Boiling Point：

178.72ºC at 760 mmHg

Flash Point：

61.888ºC

Refractive Index：

1.467

Vapor Pressure：

0.976mmHg at 25°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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:141.17
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:141.078978594
Monoisotopic Mass:141.078978594
Topological Polar Surface Area:38.3
Heavy Atom Count:10
Complexity:194
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Isopropyl-3-methyl-1,2-oxazol-5(2H)-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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