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Basic information
- CAS
51517-09-0- Standard SMILES
O=c1[nH]nco1- InChIKey
WTSXVIMLKCKWIW-UHFFFAOYSA-N- Molecular formula
- C2H2N2O2
- Average molar mass
- 86.05 g/mol
- Monoisotopic mass
- 86.0116273
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazol-2(3H)-one
- IUPAC
- 3H-1,3,4-oxadiazol-2-one
Names & synonyms
1,3,4-Oxadiazol-2(3H)-oneDTXSID10593695RefChem:72244DTXCID005444591,3,4-oxadiazol-2-ol51517-09-03H-1,3,4-oxadiazol-2-one2,3-dihydro-1,3,4-oxadiazol-2-oneMFCD269383121,3,4-oxadiazoloneAKOS013513384AKOS025116463
Show more names
racemic 1,3,4-oxadiazol-2(3H)-oneLS-09719SY143298D96956MFCD19673344SCHEMBL276416SCHEMBL276417SCHEMBL309244
Database identifiers
- CAS
51517-09-0- PubChem CID
- 18428992
- DTXSID
DTXSID10593695- EC Number
- 854-706-6
- Nikkaji
- J3.560.817F
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 97.7
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
1 records
Compound notes
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