AE12471
108149-65-1 | (S)-1-Boc-2,2-dimethyl-4-hydroxymethyl-oxazolidine
Manufacturer: A2B Chem
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CatalogNumber
AE12471
ChemicalName
(S)-1-Boc-2,2-dimethyl-4-hydroxymethyl-oxazolidine
CasNumber
108149-65-1
MolecularFormula
C11H21NO4
MolecularWeight
231.2887
MdlNumber
MFCD11041410
Smiles
OC[C@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Complexity
270
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AE12471
ChemicalName: (S)-1-Boc-2,2-dimethyl-4-hydroxymethyl-oxazolidine
CasNumber: 108149-65-1
MolecularFormula: C11H21NO4
MolecularWeight: 231.2887
MdlNumber: MFCD11041410
Smiles: OC[C@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Complexity: 270
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AE12471
ChemicalName:
(S)-1-Boc-2,2-dimethyl-4-hydroxymethyl-oxazolidine
CasNumber:
108149-65-1
MolecularFormula:
C11H21NO4
MolecularWeight:
231.2887
MdlNumber:
MFCD11041410
Smiles:
OC[C@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Complexity:
270
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
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Smiles: OC(=O)[C@@H]1CNCC1.Cl
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Smiles:
OC(=O)[C@@H]1CNCC1.Cl
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__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NC1CCS(=O)(=O)c2c1cccc2
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Smiles:
NC1CCS(=O)(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CC(=O)OC[C@H]1OC(CCc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC[C@H]1OC(CCc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__