AD43091
346694-73-3 | 1-Benzyl-3-piperidone, HCl hydrate
Manufacturer: A2B Chem
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CatalogNumber
AD43091
ChemicalName
1-Benzyl-3-piperidone, HCl hydrate
CasNumber
346694-73-3
MolecularFormula
C12H18ClNO2
MolecularWeight
243.7298
MdlNumber
MFCD00012791
Smiles
O=C1CCCN(C1)Cc1ccccc1.Cl.O
Complexity
197
Covalently-bondedUnitCount
3
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AD43091
ChemicalName: 1-Benzyl-3-piperidone, HCl hydrate
CasNumber: 346694-73-3
MolecularFormula: C12H18ClNO2
MolecularWeight: 243.7298
MdlNumber: MFCD00012791
Smiles: O=C1CCCN(C1)Cc1ccccc1.Cl.O
Complexity: 197
Covalently-bondedUnitCount: 3
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AD43091
ChemicalName:
1-Benzyl-3-piperidone, HCl hydrate
CasNumber:
346694-73-3
MolecularFormula:
C12H18ClNO2
MolecularWeight:
243.7298
MdlNumber:
MFCD00012791
Smiles:
O=C1CCCN(C1)Cc1ccccc1.Cl.O
Complexity:
197
Covalently-bondedUnitCount:
3
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
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Smiles: CS(=O)(=O)c1cccc(c1)C1=CCNCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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CasNumber:
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Smiles:
CS(=O)(=O)c1cccc(c1)C1=CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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Smiles: [O-][N+](=O)OCc1onc(c1c1ccc(cc1)S(=O)(=O)N)c1ccccc1
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-][N+](=O)OCc1onc(c1c1ccc(cc1)S(=O)(=O)N)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCC(CC(C)C)(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCC(CC(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__