Basic information
- CAS
101670-76-2- Standard SMILES
[Ca+2].[O-]C1=NOCC1N=Cc1ccc(C=NC2CON=C2[O-])o1- InChIKey
UDMLCPWBWKPKSO-UHFFFAOYSA-L- Molecular formula
- C12H10CaN4O5
- Average molar mass
- 330.31 g/mol
- Monoisotopic mass
- 330.0277103
Names & identifiers
- Preferred name
- 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate
- IUPAC
- calcium 4-[[5-[(3-oxido-4,5-dihydro-1,2-oxazol-4-yl)iminomethyl]furan-2-yl]methylideneamino]-4,5-dihydro-1,2-oxazol-3-olate
- English name
- calcium 4-[[5-[(3-oxido-4,5-dihydrooxazol-4-yl)iminomethyl]-2-furyl]me thylideneamino]-4,5-dihydrooxazol-3-olate
- Molecular formula
- C12H10CaN4O5
- Molecular weight
- 0
Names & synonyms
101670-76-23-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrateDTXSID9013846822',5'-Bis-D-(3-oxo-4-isoxazolidinyliminomethyl)furan, calcium salt, tetrahydratecalcium;4-[[5-[(3-oxido-4,5-dihydro-1,2-oxazol-4-yl)iminomethyl]furan-2-yl]methylideneamino]-4,5-dihydro-1,2-oxazol-3-olate3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium saltcalcium 4-[[5-[(3-oxido-4,5-dihydrooxazol-4-yl)iminomethyl]-2-furyl]me thylideneamino]-4,5-dihydrooxazol-3-olate
Database identifiers
- CAS
101670-76-2- PubChem CID
- 58723
- DTXSID
DTXSID901384682
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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