AD45805
1619-56-3 | Ethyl 2-cyano-2-ethylbutanoate
Manufacturer: A2B Chem
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CatalogNumber
AD45805
ChemicalName
Ethyl 2-cyano-2-ethylbutanoate
CasNumber
1619-56-3
MolecularFormula
C9H15NO2
MolecularWeight
169.2209
MdlNumber
MFCD00045613
Smiles
CCOC(=O)C(C#N)(CC)CC
NscNumber
128081
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
2
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CatalogNumber: AD45805
ChemicalName: Ethyl 2-cyano-2-ethylbutanoate
CasNumber: 1619-56-3
MolecularFormula: C9H15NO2
MolecularWeight: 169.2209
MdlNumber: MFCD00045613
Smiles: CCOC(=O)C(C#N)(CC)CC
NscNumber: 128081
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2
CatalogNumber:
AD45805
ChemicalName:
Ethyl 2-cyano-2-ethylbutanoate
CasNumber:
1619-56-3
MolecularFormula:
C9H15NO2
MolecularWeight:
169.2209
MdlNumber:
MFCD00045613
Smiles:
CCOC(=O)C(C#N)(CC)CC
NscNumber:
128081
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2
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Smiles: O=C1CCCC(C1)c1cccc(c1)C
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Smiles:
O=C1CCCC(C1)c1cccc(c1)C
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RotatableBondCount:
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Smiles: O=c1oc(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1
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Smiles:
O=c1oc(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1
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Complexity:
__
Covalently-bondedUnitCount:
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Smiles: COc1ccc(cc1OC)N(S(=O)(=O)c1ccccc1)CC(=O)Nc1ccc(cc1C)Cl
NscNumber: __
Complexity: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1OC)N(S(=O)(=O)c1ccccc1)CC(=O)Nc1ccc(cc1C)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__