AE18651
108199-25-3 | Dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate, disodium salt
Manufacturer: A2B Chem
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CatalogNumber
AE18651
ChemicalName
Dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate, disodium salt
CasNumber
108199-25-3
MolecularFormula
C8H6Na2O6S
MolecularWeight
276.1742
MdlNumber
MFCD16621664
Smiles
COC(=O)c1sc(c(c1[O-])[O-])C(=O)OC.[Na+].[Na+]
Complexity
242
Covalently-bondedUnitCount
3
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
RotatableBondCount
4
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CatalogNumber: AE18651
ChemicalName: Dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate, disodium salt
CasNumber: 108199-25-3
MolecularFormula: C8H6Na2O6S
MolecularWeight: 276.1742
MdlNumber: MFCD16621664
Smiles: COC(=O)c1sc(c(c1[O-])[O-])C(=O)OC.[Na+].[Na+]
Complexity: 242
Covalently-bondedUnitCount: 3
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
RotatableBondCount: 4
CatalogNumber:
AE18651
ChemicalName:
Dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate, disodium salt
CasNumber:
108199-25-3
MolecularFormula:
C8H6Na2O6S
MolecularWeight:
276.1742
MdlNumber:
MFCD16621664
Smiles:
COC(=O)c1sc(c(c1[O-])[O-])C(=O)OC.[Na+].[Na+]
Complexity:
242
Covalently-bondedUnitCount:
3
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
RotatableBondCount:
4
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Smiles: CCCCCCC1(CCCCCC)c2ccccc2-c2c1cc(N)cc2
Complexity: __
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Smiles:
CCCCCCC1(CCCCCC)c2ccccc2-c2c1cc(N)cc2
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Smiles: COc1ncc(cc1C)B1OC(C(O1)(C)C)(C)C
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COc1ncc(cc1C)B1OC(C(O1)(C)C)(C)C
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HydrogenBondAcceptorCount:
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Smiles: COc1ncc(c(c1)C)B1OC(C(O1)(C)C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ncc(c(c1)C)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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