AD74527
118465-49-9 | Methyl 6h-thieno[2,3-b]pyrrole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD74527
ChemicalName
Methyl 6h-thieno[2,3-b]pyrrole-5-carboxylate
CasNumber
118465-49-9
MolecularFormula
C8H7NO2S
MolecularWeight
181.2117
MdlNumber
MFCD07772830
Smiles
COC(=O)c1cc2c([nH]1)scc2
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AD74527
ChemicalName: Methyl 6h-thieno[2,3-b]pyrrole-5-carboxylate
CasNumber: 118465-49-9
MolecularFormula: C8H7NO2S
MolecularWeight: 181.2117
MdlNumber: MFCD07772830
Smiles: COC(=O)c1cc2c([nH]1)scc2
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AD74527
ChemicalName:
Methyl 6h-thieno[2,3-b]pyrrole-5-carboxylate
CasNumber:
118465-49-9
MolecularFormula:
C8H7NO2S
MolecularWeight:
181.2117
MdlNumber:
MFCD07772830
Smiles:
COC(=O)c1cc2c([nH]1)scc2
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)[O-].[Cu+2]
Complexity: 18.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-]C(=O)[O-].[Cu+2]
Complexity:
18.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Eu+3]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Eu+3]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1N1CCCCC1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1N1CCCCC1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__