AF62528
301226-27-7 | tert-Butyl 2-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF62528
ChemicalName
tert-Butyl 2-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CasNumber
301226-27-7
MolecularFormula
C13H21NO4
MolecularWeight
255.3101
MdlNumber
MFCD11100196
Smiles
O=C(N1CCC2(CC1)CCC(=O)O2)OC(C)(C)C
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AF62528
ChemicalName: tert-Butyl 2-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CasNumber: 301226-27-7
MolecularFormula: C13H21NO4
MolecularWeight: 255.3101
MdlNumber: MFCD11100196
Smiles: O=C(N1CCC2(CC1)CCC(=O)O2)OC(C)(C)C
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AF62528
ChemicalName:
tert-Butyl 2-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CasNumber:
301226-27-7
MolecularFormula:
C13H21NO4
MolecularWeight:
255.3101
MdlNumber:
MFCD11100196
Smiles:
O=C(N1CCC2(CC1)CCC(=O)O2)OC(C)(C)C
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.4
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Smiles: CCOC(=O)CC(=O)c1ccc(nc1)Cl
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Smiles:
CCOC(=O)CC(=O)c1ccc(nc1)Cl
Complexity:
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Smiles: [F-][B+3]([F-])([F-])[F-].CC[C@@H]1C[C@H](P21[C-]13[CH]4=[CH]5[Fe+2]6789%1034([CH]1=[CH]56)[C-]1(P3([Rh+]4562[CH]2=[CH]6CC[CH]4=[CH]5CC2)[C@H](CC)C[C@H]3CC)[CH]7=[CH]9[CH]%10=[CH]81)CC
Complexity: __
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Smiles:
[F-][B+3]([F-])([F-])[F-].CC[C@@H]1C[C@H](P21[C-]13[CH]4=[CH]5[Fe+2]6789%1034([CH]1=[CH]56)[C-]1(P3([Rh+]4562[CH]2=[CH]6CC[CH]4=[CH]5CC2)[C@H](CC)C[C@H]3CC)[CH]7=[CH]9[CH]%10=[CH]81)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: ClN=[Cl].O=[Cl].Cl[K].Cl[Ir]
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
ClN=[Cl].O=[Cl].Cl[K].Cl[Ir]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__