AI35949
1446012-48-1 | tert-Butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI35949
ChemicalName
tert-Butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber
1446012-48-1
MolecularFormula
C12H21NO4
MolecularWeight
243.29943999999995
MdlNumber
MFCD27986992
Smiles
OCC1CCC2(O1)CN(C2)C(=O)OC(C)(C)C
Complexity
304
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AI35949
ChemicalName: tert-Butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber: 1446012-48-1
MolecularFormula: C12H21NO4
MolecularWeight: 243.29943999999995
MdlNumber: MFCD27986992
Smiles: OCC1CCC2(O1)CN(C2)C(=O)OC(C)(C)C
Complexity: 304
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AI35949
ChemicalName:
tert-Butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber:
1446012-48-1
MolecularFormula:
C12H21NO4
MolecularWeight:
243.29943999999995
MdlNumber:
MFCD27986992
Smiles:
OCC1CCC2(O1)CN(C2)C(=O)OC(C)(C)C
Complexity:
304
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
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Smiles: Fc1ccc(cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F
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Smiles:
Fc1ccc(cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F
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Smiles: Clc1cc(cc(c1)C(F)(F)F)OS(=O)(=O)C(F)(F)F
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Smiles:
Clc1cc(cc(c1)C(F)(F)F)OS(=O)(=O)C(F)(F)F
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HeavyAtomCount:
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Smiles: Sc1nnc(o1)c1sc2c(c1Cl)cccc2
Complexity: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1nnc(o1)c1sc2c(c1Cl)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__