AA56367
122684-33-7 | 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA56367
ChemicalName
1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate
CasNumber
122684-33-7
MolecularFormula
C11H19NO4
MolecularWeight
229.2729
MdlNumber
MFCD04038683
Smiles
COC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AA56367
ChemicalName: 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate
CasNumber: 122684-33-7
MolecularFormula: C11H19NO4
MolecularWeight: 229.2729
MdlNumber: MFCD04038683
Smiles: COC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AA56367
ChemicalName:
1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate
CasNumber:
122684-33-7
MolecularFormula:
C11H19NO4
MolecularWeight:
229.2729
MdlNumber:
MFCD04038683
Smiles:
COC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
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Smiles: BrCc1cc(F)ccc1C=O
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
BrCc1cc(F)ccc1C=O
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: COc1cc(OC)cc(c1C=O)N
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Smiles:
COc1cc(OC)cc(c1C=O)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: [O-][N+](=O)c1cccc2c1nccc2Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][N+](=O)c1cccc2c1nccc2Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__