AB56314
5410-01-5 | [1,2-Ethanediylbis(oxy-4,1-phenylene)]bis(phenylmethanone)
Manufacturer: A2B Chem
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CatalogNumber
AB56314
ChemicalName
[1,2-Ethanediylbis(oxy-4,1-phenylene)]bis(phenylmethanone)
CasNumber
5410-01-5
MolecularFormula
C28H22O4
MolecularWeight
422.4719
MdlNumber
MFCD27977421
Smiles
O=C(c1ccccc1)c1ccc(cc1)OCCOc1ccc(cc1)C(=O)c1ccccc1
NscNumber
12558
Complexity
522
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
4
RotatableBondCount
9
Xlogp3
6.5
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CatalogNumber: AB56314
ChemicalName: [1,2-Ethanediylbis(oxy-4,1-phenylene)]bis(phenylmethanone)
CasNumber: 5410-01-5
MolecularFormula: C28H22O4
MolecularWeight: 422.4719
MdlNumber: MFCD27977421
Smiles: O=C(c1ccccc1)c1ccc(cc1)OCCOc1ccc(cc1)C(=O)c1ccccc1
NscNumber: 12558
Complexity: 522
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 4
RotatableBondCount: 9
Xlogp3: 6.5
CatalogNumber:
AB56314
ChemicalName:
[1,2-Ethanediylbis(oxy-4,1-phenylene)]bis(phenylmethanone)
CasNumber:
5410-01-5
MolecularFormula:
C28H22O4
MolecularWeight:
422.4719
MdlNumber:
MFCD27977421
Smiles:
O=C(c1ccccc1)c1ccc(cc1)OCCOc1ccc(cc1)C(=O)c1ccccc1
NscNumber:
12558
Complexity:
522
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
4
RotatableBondCount:
9
Xlogp3:
6.5
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Smiles: O[I](c1ccccc1)OS(=O)(=O)C
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O[I](c1ccccc1)OS(=O)(=O)C
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Smiles: CCCC[N]1(CCCC)CC(=O)[N-]2[Ni+2]31[O-]C(=O)C[N]3=C(c1ccccc1)c1c2cccc1
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CCCC[N]1(CCCC)CC(=O)[N-]2[Ni+2]31[O-]C(=O)C[N]3=C(c1ccccc1)c1c2cccc1
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Smiles: O=C1C[N]2=C(c3ccccc3)c3c([N-]4[Ni+2]2([O-]1)[N]1(CCCCC1)CC4=O)cccc3
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Smiles:
O=C1C[N]2=C(c3ccccc3)c3c([N-]4[Ni+2]2([O-]1)[N]1(CCCCC1)CC4=O)cccc3
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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