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4-Isoxazolecarboxaldehyde,3-(4-methoxyphenyl)-5-methyl-(9CI)

4-Isoxazolecarboxaldehyde,3-(4-methoxyphenyl)-5-methyl-(9CI) structure

CAS No:
273223-12-4
Formula:
C12H11NO3
Chemical Name:
4-Isoxazolecarboxaldehyde,3-(4-methoxyphenyl)-5-methyl-(9CI)
Synonyms:
4-Isoxazolecarboxaldehyde,3-(4-methoxyphenyl)-5-methyl-(9CI);3-(4-Methoxyphenyl)-5-Methylisoxazole-4-carboxaldehyde;4-Isoxazolecarboxaldehyde, 3-(4-methoxyphenyl)-5-methyl-

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4-Isoxazolecarboxaldehyde,3-(4-methoxyphenyl)-5-methyl-(9CI) Basic Attributes

Molecular Weight：

217.22

Exact Mass：

217.07389321

DSSTox ID：

DTXSID60453477

Characteristics

Density：

1.189±0.06 g/cm3

Melting Point：

63-68°C

Boiling Point：

394.4±42.0 °C(Predicted)

PKA：

-3.89±0.50

Safety Information

wgk germany：

hazard class code：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:217.22
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:217.07389321
Monoisotopic Mass:217.07389321
Topological Polar Surface Area:52.3
Heavy Atom Count:16
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Isoxazolecarboxaldehyde,3-(4-methoxyphenyl)-5-methyl-(9CI)

Basic Attributes
Characteristics
Safety Information
Computed Properties

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