AD59760
1187-74-2 | Acetonyl succinic acid diethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD59760
ChemicalName
Acetonyl succinic acid diethyl ester
CasNumber
1187-74-2
MolecularFormula
C11H18O5
MolecularWeight
230.2576
MdlNumber
MFCD00071579
Smiles
CCOC(=O)CC(C(=O)OCC)CC(=O)C
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
9
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AD59760
ChemicalName: Acetonyl succinic acid diethyl ester
CasNumber: 1187-74-2
MolecularFormula: C11H18O5
MolecularWeight: 230.2576
MdlNumber: MFCD00071579
Smiles: CCOC(=O)CC(C(=O)OCC)CC(=O)C
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AD59760
ChemicalName:
Acetonyl succinic acid diethyl ester
CasNumber:
1187-74-2
MolecularFormula:
C11H18O5
MolecularWeight:
230.2576
MdlNumber:
MFCD00071579
Smiles:
CCOC(=O)CC(C(=O)OCC)CC(=O)C
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
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Smiles: CNC(c1cccc(c1)C(F)(F)F)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CNC(c1cccc(c1)C(F)(F)F)C
Complexity:
__
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HydrogenBondAcceptorCount:
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Smiles: OC(=O)Cn1ccnn1.Cl
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Xlogp3: __
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MolecularWeight:
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Smiles:
OC(=O)Cn1ccnn1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Smiles: Brc1ccc2c(c1)ccn2S(=O)(=O)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1ccc2c(c1)ccn2S(=O)(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__