AI51695
52133-67-2 | Ethyl 2-cyano-4,4-diethoxybutyrate
Manufacturer: A2B Chem
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CatalogNumber
AI51695
ChemicalName
Ethyl 2-cyano-4,4-diethoxybutyrate
CasNumber
52133-67-2
MolecularFormula
C11H19NO4
MolecularWeight
229.2729
MdlNumber
MFCD02094250
Smiles
CCOC(CC(C(=O)OCC)C#N)OCC
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
9
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AI51695
ChemicalName: Ethyl 2-cyano-4,4-diethoxybutyrate
CasNumber: 52133-67-2
MolecularFormula: C11H19NO4
MolecularWeight: 229.2729
MdlNumber: MFCD02094250
Smiles: CCOC(CC(C(=O)OCC)C#N)OCC
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AI51695
ChemicalName:
Ethyl 2-cyano-4,4-diethoxybutyrate
CasNumber:
52133-67-2
MolecularFormula:
C11H19NO4
MolecularWeight:
229.2729
MdlNumber:
MFCD02094250
Smiles:
CCOC(CC(C(=O)OCC)C#N)OCC
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: N[C@H](C(=O)OCc1ccccc1)Cc1ccc(cc1)OCc1ccccc1.Cl
Complexity: 421
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](C(=O)OCc1ccccc1)Cc1ccc(cc1)OCc1ccccc1.Cl
Complexity:
421
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CC1=C(C2=C(C=C1)C(=CC(=N2)C(=O)O)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=C(C2=C(C=C1)C(=CC(=N2)C(=O)O)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: COc1cc(nc2c1cc(OC)cc2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(nc2c1cc(OC)cc2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__