(3aR,6aS)-hexahydrofuro(3,4-c)furan-1,3-dione
Basic information
- CAS
149429-50-5- Standard SMILES
O=C1OC(=O)[C@@H]2COC[C@H]12- InChIKey
NEOVTTNLKPSNCL-ZXZARUISSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.02660867
Names & identifiers
- Preferred name
- (3aR,6aS)-hexahydrofuro(3,4-c)furan-1,3-dione
- IUPAC
- (3aR,6aS)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
Names & synonyms
(3aR,6aS)-hexahydrofuro[3,4-c]furan-1,3-dione1H,3H-Furo[3,4-c]furan-1,3-dione, tetrahydro-, cis-(3aR,6aS)-hexahydrofuro(3,4-c)furan-1,3-dione1H,3H-Furo(3,4-c)furan-1,3-dione, tetrahydro-, cis-RefChem:400591890-109-7149429-50-5cis-tetrahydrofurano[3,4-c]furan-1,3-dioneSCHEMBL9305271CHEMBL1095479DTXSID801224996DB-220276
Show more names
EN300-27746525(3aR,6aS)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,3-dione
Database identifiers
- CAS
149429-50-5- PubChem CID
- 46201433
- DTXSID
DTXSID801224996- ChEMBL
CHEMBL1095479- EC Number
- 890-109-7
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 178
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, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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