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1-(Oxazol-2-yl)ethanone

1-(Oxazol-2-yl)ethanone structure

CAS No:
77311-07-0
Formula:
C5H5NO2
Chemical Name:
1-(Oxazol-2-yl)ethanone
Synonyms:
Ethanone,1-(2-oxazolyl)-;1-(2-Oxazolyl)ethanone;2-Acetyloxazole;1-(Oxazol-2-yl)ethanone;1-(Oxazole-2-yl)ethanone;1-(1,3-Oxazol-2-yl)ethanone;1-(1,3-Oxazol-2-yl)ethan-1-one
Categories:
Specialty Chemicals

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1-(Oxazol-2-yl)ethanone Basic Attributes

Molecular Weight：

111.09900

Exact Mass：

111.10

DSSTox ID：

DTXSID40599867

HScode：

2934999090

Characteristics

PSA：

43.10000

XLogP3：

0.87720

Density：

1.145 g/cm3

Boiling Point：

177.4ºC at 760 mmHg

Flash Point：

61.1ºC

Water Solubility：

2.157e+005 mg/L @ 25 °C (est)

Safety Information

GHS Classification：

|Warning|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:111.10
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:111.032028402
Monoisotopic Mass:111.032028402
Topological Polar Surface Area:43.1
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes