AG33955
512822-34-3 | tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG33955
ChemicalName
tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CasNumber
512822-34-3
MolecularFormula
C13H21NO3
MolecularWeight
239.3107
MdlNumber
MFCD18792095
Smiles
O=C(N1CC2CCCC(C1)C2=O)OC(C)(C)C
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.7
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CatalogNumber: AG33955
ChemicalName: tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CasNumber: 512822-34-3
MolecularFormula: C13H21NO3
MolecularWeight: 239.3107
MdlNumber: MFCD18792095
Smiles: O=C(N1CC2CCCC(C1)C2=O)OC(C)(C)C
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.7
CatalogNumber:
AG33955
ChemicalName:
tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CasNumber:
512822-34-3
MolecularFormula:
C13H21NO3
MolecularWeight:
239.3107
MdlNumber:
MFCD18792095
Smiles:
O=C(N1CC2CCCC(C1)C2=O)OC(C)(C)C
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.7
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Smiles: OC(=O)c1cccn2c1nnc2O
Complexity: __
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Smiles:
OC(=O)c1cccn2c1nnc2O
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Smiles: COC(=O)C1(C)CCCN1.Cl
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COC(=O)C1(C)CCCN1.Cl
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Smiles: CCOC(=O)C1(N)CCN(CC1)CC
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Smiles:
CCOC(=O)C1(N)CCN(CC1)CC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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