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3-Phenylisoxazole

3-Phenylisoxazole structure

CAS No:
1006-65-1
Formula:
C9H7NO
Chemical Name:
3-Phenylisoxazole
Synonyms:
Isoxazole,3-phenyl-;3-Phenylisoxazole;3-Phenyl-1,2-oxazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Phenylisoxazole Basic Attributes

Molecular Weight：

145.161

Exact Mass：

145.16

DSSTox ID：

DTXSID60143422

HScode：

2934999090

Characteristics

PSA：

26.03000

XLogP3：

2.34160

Density：

1.139 g/cm³ @ Temp: 20 °C

Melting Point：

110-111 °C

Boiling Point：

128 °C @ Press: 16 Torr

Flash Point：

127.4ºC

Refractive Index：

1.543

Vapor Pressure：

0.00675mmHg at 25°C

Computed Properties

Molecular Weight:145.16
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:26
Heavy Atom Count:11
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1006-65-1

Grade: Pharmaceutical Grade

Content: 99%

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