AA96695
181269-69-2 | tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA96695
ChemicalName
tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate
CasNumber
181269-69-2
MolecularFormula
C11H19NO3
MolecularWeight
213.2735
MdlNumber
MFCD08460962
Smiles
O=C1CCN(CC1C)C(=O)OC(C)(C)C
Complexity
268
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AA96695
ChemicalName: tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate
CasNumber: 181269-69-2
MolecularFormula: C11H19NO3
MolecularWeight: 213.2735
MdlNumber: MFCD08460962
Smiles: O=C1CCN(CC1C)C(=O)OC(C)(C)C
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AA96695
ChemicalName:
tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate
CasNumber:
181269-69-2
MolecularFormula:
C11H19NO3
MolecularWeight:
213.2735
MdlNumber:
MFCD08460962
Smiles:
O=C1CCN(CC1C)C(=O)OC(C)(C)C
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: __
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Smiles: C/C(=C/C(=O)C)/O[Eu](O/C(=CC(=O)C)/C)O/C(=CC(=O)C)/C.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
C/C(=C/C(=O)C)/O[Eu](O/C(=CC(=O)C)/C)O/C(=CC(=O)C)/C.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(cc1)[B-](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(cc1)[B-](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: BrCC1CCCN1C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC1CCCN1C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__