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1,2,5-OXADIAZOLE-3-CARBOXYLICACID

1,2,5-OXADIAZOLE-3-CARBOXYLICACID structure

CAS No:
88598-08-7
Formula:
C3H2N2O3
Chemical Name:
1,2,5-OXADIAZOLE-3-CARBOXYLICACID
Synonyms:
CHEMBRDG-BB 4401609;1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID;TIMTEC-BB SBB002780;Furazan-3-carboxylic acid;1,2,5-Oxadiazole-3-carboxylic acid 97%;1,2,5-Oxadiazole-3-carboxylicacid(9CI);1,2,5-oxadiazole-3-carboxylic acid(SALTDATA: FREE);5-oxadiazole-3-carboxylic acid

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1,2,5-OXADIAZOLE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

114.06

Exact Mass：

114.00654193

DSSTox ID：

DTXSID90362841

Characteristics

Density：

1.601±0.06 g/cm3

Melting Point：

102 °C

Boiling Point：

296.2±32.0 °C(Predicted)

PKA：

2.66±0.10

Safety Information

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

Computed Properties

Molecular Weight:114.06
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:114.00654193
Monoisotopic Mass:114.00654193
Topological Polar Surface Area:76.2
Heavy Atom Count:8
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: etoac; disodium guanylate; formula bicarbonate; isopentane; benzyl acetate; difenidol

Guide of 1,2,5-OXADIAZOLE-3-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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