AB54306
13361-34-7 | 2-Ethylhexyl cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AB54306
ChemicalName
2-Ethylhexyl cyanoacetate
CasNumber
13361-34-7
MolecularFormula
C11H19NO2
MolecularWeight
197.2741
MdlNumber
MFCD00019843
Smiles
CCCCC(COC(=O)CC#N)CC
NscNumber
69963
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
3.1
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CatalogNumber: AB54306
ChemicalName: 2-Ethylhexyl cyanoacetate
CasNumber: 13361-34-7
MolecularFormula: C11H19NO2
MolecularWeight: 197.2741
MdlNumber: MFCD00019843
Smiles: CCCCC(COC(=O)CC#N)CC
NscNumber: 69963
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AB54306
ChemicalName:
2-Ethylhexyl cyanoacetate
CasNumber:
13361-34-7
MolecularFormula:
C11H19NO2
MolecularWeight:
197.2741
MdlNumber:
MFCD00019843
Smiles:
CCCCC(COC(=O)CC#N)CC
NscNumber:
69963
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC(COCC1CO1)CC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCC(COCC1CO1)CC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1ncc[nH]1
NscNumber: __
Complexity: 54
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
CCc1ncc[nH]1
NscNumber:
__
Complexity:
54
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.9
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MolecularFormula: __
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MdlNumber: __
Smiles: Fc1cccc[n+]1C.Cc1ccc(cc1)S(=O)(=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc[n+]1C.Cc1ccc(cc1)S(=O)(=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__