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3-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOICACID

3-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOICACID structure

CAS No:
94192-18-4
Formula:
C12H12N2O4
Chemical Name:
3-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOICACID
Synonyms:
1,2,4-oxadiazole-5-propanoic acid, 3-(4-methoxyphenyl)-;3-propionic acid

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3-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOICACID Basic Attributes

Molecular Weight：

248.23

Exact Mass：

248.07970687 g/mol

DSSTox ID：

DTXSID70351056

Characteristics

PSA：

85.4 Å²

Density：

1.293±0.06 g/cm3

Melting Point：

135-137 °C

Boiling Point：

463.5±55.0 °C(Predicted)

PKA：

4.07±0.10

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:248.23
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:248.07970687
Monoisotopic Mass:248.07970687
Topological Polar Surface Area:85.4
Heavy Atom Count:18
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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