AA00960
1000933-99-2 | 2-(Boc-amino)-6-hydroxyspiro[3.3]heptane
Manufacturer: A2B Chem
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CatalogNumber
AA00960
ChemicalName
2-(Boc-amino)-6-hydroxyspiro[3.3]heptane
CasNumber
1000933-99-2
MolecularFormula
C12H21NO3
MolecularWeight
227.3
MdlNumber
MFCD09702342
Smiles
OC1CC2(C1)CC(C2)NC(=O)OC(C)(C)C
Complexity
281
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AA00960
ChemicalName: 2-(Boc-amino)-6-hydroxyspiro[3.3]heptane
CasNumber: 1000933-99-2
MolecularFormula: C12H21NO3
MolecularWeight: 227.3
MdlNumber: MFCD09702342
Smiles: OC1CC2(C1)CC(C2)NC(=O)OC(C)(C)C
Complexity: 281
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AA00960
ChemicalName:
2-(Boc-amino)-6-hydroxyspiro[3.3]heptane
CasNumber:
1000933-99-2
MolecularFormula:
C12H21NO3
MolecularWeight:
227.3
MdlNumber:
MFCD09702342
Smiles:
OC1CC2(C1)CC(C2)NC(=O)OC(C)(C)C
Complexity:
281
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5
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MolecularFormula: __
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Smiles: O=C(OC(C)(C)C)NCC1CNc2c1cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(OC(C)(C)C)NCC1CNc2c1cccc2
Complexity:
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Smiles: Brc1cnc2n(c1)c1ccccc1n2
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Smiles:
Brc1cnc2n(c1)c1ccccc1n2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Brc1cccc(c1)CSC1=NC(CO1)(C)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)CSC1=NC(CO1)(C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__