AV75704
3213-50-1 | Ethyl 2-cyano-2-cyclohexylacetate
Manufacturer: A2B Chem
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CatalogNumber
AV75704
ChemicalName
Ethyl 2-cyano-2-cyclohexylacetate
CasNumber
3213-50-1
MolecularFormula
C11H17NO2
MolecularWeight
195.2582
MdlNumber
MFCD03412599
Smiles
CCOC(=O)C(C1CCCCC1)C#N
NscNumber
44911
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
3.1
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CatalogNumber: AV75704
ChemicalName: Ethyl 2-cyano-2-cyclohexylacetate
CasNumber: 3213-50-1
MolecularFormula: C11H17NO2
MolecularWeight: 195.2582
MdlNumber: MFCD03412599
Smiles: CCOC(=O)C(C1CCCCC1)C#N
NscNumber: 44911
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AV75704
ChemicalName:
Ethyl 2-cyano-2-cyclohexylacetate
CasNumber:
3213-50-1
MolecularFormula:
C11H17NO2
MolecularWeight:
195.2582
MdlNumber:
MFCD03412599
Smiles:
CCOC(=O)C(C1CCCCC1)C#N
NscNumber:
44911
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
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Smiles: N#CC(C(=O)O)C1CCCCC1
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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Smiles:
N#CC(C(=O)O)C1CCCCC1
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: N#CCCC1CCOCC1
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
N#CCCC1CCOCC1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(=O)NCC#C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(=O)NCC#C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__