AA78715
15666-97-4 | Octyl cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AA78715
ChemicalName
Octyl cyanoacetate
CasNumber
15666-97-4
MolecularFormula
C11H19NO2
MolecularWeight
197.2741
MdlNumber
MFCD00075425
Smiles
CCCCCCCCOC(=O)CC#N
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
9
Xlogp3
3.3
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CatalogNumber: AA78715
ChemicalName: Octyl cyanoacetate
CasNumber: 15666-97-4
MolecularFormula: C11H19NO2
MolecularWeight: 197.2741
MdlNumber: MFCD00075425
Smiles: CCCCCCCCOC(=O)CC#N
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 9
Xlogp3: 3.3
CatalogNumber:
AA78715
ChemicalName:
Octyl cyanoacetate
CasNumber:
15666-97-4
MolecularFormula:
C11H19NO2
MolecularWeight:
197.2741
MdlNumber:
MFCD00075425
Smiles:
CCCCCCCCOC(=O)CC#N
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
9
Xlogp3:
3.3
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Smiles: c1ccc(cc1)C1=Nc2c3c(N1)cccc3ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
c1ccc(cc1)C1=Nc2c3c(N1)cccc3ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: COc1ccccc1C1=Nc2c3c(N1)cccc3ccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccccc1C1=Nc2c3c(N1)cccc3ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: BrCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__