AB77694
70136-02-6 | Nicotinic acid n-octyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB77694
ChemicalName
Nicotinic acid n-octyl ester
CasNumber
70136-02-6
MolecularFormula
C14H21NO2
MolecularWeight
235.322
MdlNumber
MFCD00059783
Smiles
CCCCCCCCOC(=O)c1cccnc1
NscNumber
75485
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
9
Xlogp3
4.7
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CatalogNumber: AB77694
ChemicalName: Nicotinic acid n-octyl ester
CasNumber: 70136-02-6
MolecularFormula: C14H21NO2
MolecularWeight: 235.322
MdlNumber: MFCD00059783
Smiles: CCCCCCCCOC(=O)c1cccnc1
NscNumber: 75485
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 9
Xlogp3: 4.7
CatalogNumber:
AB77694
ChemicalName:
Nicotinic acid n-octyl ester
CasNumber:
70136-02-6
MolecularFormula:
C14H21NO2
MolecularWeight:
235.322
MdlNumber:
MFCD00059783
Smiles:
CCCCCCCCOC(=O)c1cccnc1
NscNumber:
75485
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
9
Xlogp3:
4.7
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Smiles: CCCCCCCCOC(=O)CS
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
CCCCCCCCOC(=O)CS
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: CCCCCCCCNCCN
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Smiles:
CCCCCCCCNCCN
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RotatableBondCount:
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Smiles: CCCCCCCC[Mg]Br
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Smiles:
CCCCCCCC[Mg]Br
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__