AB44205
108-56-5 | Diethyl 2-oxobutanedioate
Manufacturer: A2B Chem
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CatalogNumber
AB44205
ChemicalName
Diethyl 2-oxobutanedioate
CasNumber
108-56-5
MolecularFormula
C8H12O5
MolecularWeight
188.1779
MdlNumber
MFCD00511083
Smiles
CCOC(=O)CC(=O)C(=O)OCC
NscNumber
68476
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AB44205
ChemicalName: Diethyl 2-oxobutanedioate
CasNumber: 108-56-5
MolecularFormula: C8H12O5
MolecularWeight: 188.1779
MdlNumber: MFCD00511083
Smiles: CCOC(=O)CC(=O)C(=O)OCC
NscNumber: 68476
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AB44205
ChemicalName:
Diethyl 2-oxobutanedioate
CasNumber:
108-56-5
MolecularFormula:
C8H12O5
MolecularWeight:
188.1779
MdlNumber:
MFCD00511083
Smiles:
CCOC(=O)CC(=O)C(=O)OCC
NscNumber:
68476
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(=O)COc1ccccc1)COc1ccccc1
NscNumber: __
Complexity: 298
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(=O)COc1ccccc1)COc1ccccc1
NscNumber:
__
Complexity:
298
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccccc1Oc1ccccc1
NscNumber: __
Complexity: 166
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccccc1Oc1ccccc1
NscNumber:
__
Complexity:
166
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCOc1ccccc1
NscNumber: __
Complexity: 77.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCOc1ccccc1
NscNumber:
__
Complexity:
77.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2