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4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOICACID

4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOICACID structure

CAS No:
95124-68-8
Formula:
C10H8N2O3
Chemical Name:
4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOICACID
Synonyms:
3-(4-Carboxyphenyl)-5-methyl-1,2,4-oxadiazole;4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID;Benzoic acid, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-

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4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOICACID Basic Attributes

Molecular Weight：

204.18

Exact Mass：

204.05349212

DSSTox ID：

DTXSID30427807

Characteristics

Density：

1.336±0.06 g/cm3

Melting Point：

262 °C

Boiling Point：

405.1±47.0 °C(Predicted)

PKA：

3.38±0.10

Safety Information

hazard class code：

26-36

safety instructions：

36-26

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:204.18
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:204.05349212
Monoisotopic Mass:204.05349212
Topological Polar Surface Area:76.2
Heavy Atom Count:15
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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