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4-Isoxazolecarboxylicacid

4-Isoxazolecarboxylicacid structure

CAS No:
6436-62-0
Formula:
C4H3NO3
Chemical Name:
4-Isoxazolecarboxylicacid
Synonyms:
4-ISOXAZOLECARBOXYLIC ACID;ISOXAZOLE-4-CARBOXYLIC ACID;ISOOXAZOLE-4-CARBOXYLIC ACID;1,2-oxazole-4-carboxylic acid;4-Carboxyisoxazole, 1,2-Oxazole-4-carboxylic acid, 4-Carboxy-1,2-oxazole
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

off-white to light yellow powder

4-Isoxazolecarboxylicacid Basic Attributes

Molecular Weight：

113.07

Exact Mass：

113.011292

DSSTox ID：

DTXSID30214577

HScode：

2934999090

Characteristics

PSA：

63.3

XLogP3：

-0.1

Appearance：

off-white to light yellow powder

Density：

1.5±0.1 g/cm3

Melting Point：

123-124 °C

Boiling Point：

321.2°C at 760 mmHg

Flash Point：

148.1±20.4 °C

Refractive Index：

1.517

Safety Information

Marks：

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:113.07
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:113.011292958
Monoisotopic Mass:113.011292958
Topological Polar Surface Area:63.3
Heavy Atom Count:8
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Isoxazolecarboxylic acid

CAS No.: 6436-62-0

Content: 99.00%

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Guide of 4-Isoxazolecarboxylicacid

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Basic Attributes
Characteristics
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Computed Properties
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4-Isoxazolecarboxylicacid

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