Tricarballylic anhydride
Basic information
- CAS
4756-10-9- Standard SMILES
O=C(O)CC1CC(=O)OC1=O- InChIKey
LYANEXCVXFZQFF-UHFFFAOYSA-N- Molecular formula
- C6H6O5
- Average molar mass
- 158.11 g/mol
- Monoisotopic mass
- 158.02152329
Names & identifiers
- Preferred name
- Tricarballylic anhydride
- IUPAC
- 2-(2,5-dioxooxolan-3-yl)acetic acid
Names & synonyms
Tricarballylic anhydride4756-10-92-(2,5-dioxooxolan-3-yl)acetic acidDTXSID20286162RefChem:899164DTXCID80237312832-520-62-(2,5-Dioxotetrahydrofuran-3-yl)acetic acid(2,5-dioxotetrahydro-3-furanyl)acetic acidMFCD005986453-Furanacetic acid, tetrahydro-2,5-dioxo-(2,5-dioxotetrahydrofuran-3-yl)acetic acid
Show more names
(2,5-dioxooxolan-3-yl)acetic acidNSC-439772-(2,5-dioxo-3-3,4-dihydrofuryl)acetic acidNSC43977Carballylic anhydridetetrahydro-2,5-dioxo-3-Furanacetic acidSCHEMBL273409TT93M4W9B4
Database identifiers
- CAS
4756-10-9- PubChem CID
- 239163
- DTXSID
DTXSID20286162- UNII
- TT93M4W9B4
- EC Number
- 832-520-6
- Nikkaji
- J1.288.382J
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 219
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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