Basic information
- CAS
484-91-3- Standard SMILES
O=C1CCOC2=C1COC2=O- InChIKey
CGCAHEDRSBRAIM-UHFFFAOYSA-N- Molecular formula
- C7H6O4
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.02660867
Names & identifiers
- Preferred name
- Isoclavicin
- IUPAC
- 3,5-dihydro-2H-furo[3,4-b]pyran-4,7-dione
- English name
- 2H-Furo[3,4-b]pyran-4,7(3H,5H)-dione
- Molecular formula
- C7H6O4
- Molecular weight
- 154.12
Names & synonyms
ISOCLAVICIN484-91-32H-Furo(3,4-b)pyran-4,7(3H,5H)-dioneUNII-CKH162OZMVNSC 4022762H-furo[3,4-b]pyran-4,7(3H,5H)-dioneDTXSID70197517RefChem:149192DTXCID30120008NSC407489Isoclavacin3,5-dihydro-2H-furo[3,4-b]pyran-4,7-dione
Show more names
orb3141934SCHEMBL30335595NSC402276TN11534Q27275503
Database identifiers
- CAS
484-91-3- PubChem CID
- 101239
- DTXSID
DTXSID70197517- UNII
- CKH162OZMV
- Nikkaji
- J12.524E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- FDA UNII
- 162 OZMV · CKH162OZMV
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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