AG57501
53611-47-5 | 2-Oxopiperidine-4-methanol
Manufacturer: A2B Chem
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CatalogNumber
AG57501
ChemicalName
2-Oxopiperidine-4-methanol
CasNumber
53611-47-5
MolecularFormula
C6H11NO2
MolecularWeight
129.157
MdlNumber
MFCD17016089
Smiles
OCC1CCNC(=O)C1
Complexity
114
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.8
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CatalogNumber: AG57501
ChemicalName: 2-Oxopiperidine-4-methanol
CasNumber: 53611-47-5
MolecularFormula: C6H11NO2
MolecularWeight: 129.157
MdlNumber: MFCD17016089
Smiles: OCC1CCNC(=O)C1
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.8
CatalogNumber:
AG57501
ChemicalName:
2-Oxopiperidine-4-methanol
CasNumber:
53611-47-5
MolecularFormula:
C6H11NO2
MolecularWeight:
129.157
MdlNumber:
MFCD17016089
Smiles:
OCC1CCNC(=O)C1
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.8
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Smiles: O=C(Nc1ccccc1Cl)/C=C\C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
O=C(Nc1ccccc1Cl)/C=C\C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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UndefinedAtomStereocenterCount: __
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Smiles:
CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(C)NC1=CC2=CC=CC=C2C=C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)NC1=CC2=CC=CC=C2C=C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__