AA63074
1408075-90-0 | tert-Butyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA63074
ChemicalName
tert-Butyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber
1408075-90-0
MolecularFormula
C11H17NO4
MolecularWeight
227.257
MdlNumber
MFCD23105989
Smiles
O=C(N1CC2(C1)OCC(=O)C2)OC(C)(C)C
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AA63074
ChemicalName: tert-Butyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber: 1408075-90-0
MolecularFormula: C11H17NO4
MolecularWeight: 227.257
MdlNumber: MFCD23105989
Smiles: O=C(N1CC2(C1)OCC(=O)C2)OC(C)(C)C
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AA63074
ChemicalName:
tert-Butyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber:
1408075-90-0
MolecularFormula:
C11H17NO4
MolecularWeight:
227.257
MdlNumber:
MFCD23105989
Smiles:
O=C(N1CC2(C1)OCC(=O)C2)OC(C)(C)C
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AA63075
ChemicalName: Methyl 3-oxo-1-methyl-cyclobutanecarboxylate
CasNumber: 1408075-88-6
MolecularFormula: C7H10O3
MolecularWeight: 142.1525
MdlNumber: MFCD23105986
Smiles: COC(=O)C1(C)CC(=O)C1
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AA63075
ChemicalName:
Methyl 3-oxo-1-methyl-cyclobutanecarboxylate
CasNumber:
1408075-88-6
MolecularFormula:
C7H10O3
MolecularWeight:
142.1525
MdlNumber:
MFCD23105986
Smiles:
COC(=O)C1(C)CC(=O)C1
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: CCOC(=O)C[C@@H]1C[C@H](C1)O
Complexity: __
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Smiles:
CCOC(=O)C[C@@H]1C[C@H](C1)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)[C@]1(C)C[C@@H](C1)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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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:
CCOC(=O)[C@]1(C)C[C@@H](C1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__