AD88489
88150-75-8 | Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AD88489
ChemicalName
Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate
CasNumber
88150-75-8
MolecularFormula
C16H17NO6
MolecularWeight
319.30927999999994
MdlNumber
MFCD12407176
Smiles
CCOC(=O)CC(=O)COCCN1C(=O)c2c(C1=O)cccc2
Complexity
465
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
RotatableBondCount
9
Xlogp3
0.9
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CatalogNumber: AD88489
ChemicalName: Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate
CasNumber: 88150-75-8
MolecularFormula: C16H17NO6
MolecularWeight: 319.30927999999994
MdlNumber: MFCD12407176
Smiles: CCOC(=O)CC(=O)COCCN1C(=O)c2c(C1=O)cccc2
Complexity: 465
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
RotatableBondCount: 9
Xlogp3: 0.9
CatalogNumber:
AD88489
ChemicalName:
Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate
CasNumber:
88150-75-8
MolecularFormula:
C16H17NO6
MolecularWeight:
319.30927999999994
MdlNumber:
MFCD12407176
Smiles:
CCOC(=O)CC(=O)COCCN1C(=O)c2c(C1=O)cccc2
Complexity:
465
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
RotatableBondCount:
9
Xlogp3:
0.9
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Smiles: CCOC(=O)C1=C(COCCN=[N+]=[N-])NC(=C(C1c1ccccc1Cl)C(=O)OC)C
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Smiles:
CCOC(=O)C1=C(COCCN=[N+]=[N-])NC(=C(C1c1ccccc1Cl)C(=O)OC)C
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Smiles: Clc1cc(I)c(c(c1)I)N
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Clc1cc(I)c(c(c1)I)N
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Smiles: Brc1cc(Oc2ccccc2)cc(c1N)Br
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Smiles:
Brc1cc(Oc2ccccc2)cc(c1N)Br
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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