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4-(1,3-OXAZOL-5-YL)BENZOICACID

4-(1,3-OXAZOL-5-YL)BENZOICACID structure

CAS No:
250161-45-6
Formula:
C10H7NO3
Chemical Name:
4-(1,3-OXAZOL-5-YL)BENZOICACID
Synonyms:
5-(4-Carboxyphenyl)-1,3-oxazole;Benzoic acid, 4-(5-oxazolyl)-;RARECHEM AL BO 1731;4-(1,3-OXAZOL-5-YL)BENZOIC ACID;4-(Oxazol-5-yl)benzoic acid;4-(5-Oxazolyl)benzoic Acid

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4-(1,3-OXAZOL-5-YL)BENZOICACID Basic Attributes

Molecular Weight：

189.17

Exact Mass：

189.042593085

DSSTox ID：

DTXSID20380058

Characteristics

Density：

1.320±0.06 g/cm3

Melting Point：

301-302°C

Boiling Point：

390.3±25.0 °C(Predicted)

PKA：

3.86±0.10

Safety Information

hazard class code：

36/37/38

safety instructions：

26-37/39

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 158 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:189.17
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:189.042593085
Monoisotopic Mass:189.042593085
Topological Polar Surface Area:63.3
Heavy Atom Count:14
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,3-OXAZOL-5-YL)BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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