AA00937
1000932-09-1 | 1-Methyl-2-oxopiperidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA00937
ChemicalName
1-Methyl-2-oxopiperidine-4-carboxylic acid
CasNumber
1000932-09-1
MolecularFormula
C7H11NO3
MolecularWeight
157.1671
MdlNumber
MFCD09863345
Smiles
OC(=O)C1CCN(C(=O)C1)C
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.7
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CatalogNumber: AA00937
ChemicalName: 1-Methyl-2-oxopiperidine-4-carboxylic acid
CasNumber: 1000932-09-1
MolecularFormula: C7H11NO3
MolecularWeight: 157.1671
MdlNumber: MFCD09863345
Smiles: OC(=O)C1CCN(C(=O)C1)C
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.7
CatalogNumber:
AA00937
ChemicalName:
1-Methyl-2-oxopiperidine-4-carboxylic acid
CasNumber:
1000932-09-1
MolecularFormula:
C7H11NO3
MolecularWeight:
157.1671
MdlNumber:
MFCD09863345
Smiles:
OC(=O)C1CCN(C(=O)C1)C
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.7
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(N1CCCC2C1CCCN2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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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MdlNumber:
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Smiles:
O=C(N1CCCC2C1CCCN2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1nccc(n1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1nccc(n1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1(OC)C2CCCC1CN(C2)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1(OC)C2CCCC1CN(C2)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__