AC40077
819800-93-6 | tert-Butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC40077
ChemicalName
tert-Butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate
CasNumber
819800-93-6
MolecularFormula
C11H20N2O5
MolecularWeight
260.2869
MdlNumber
MFCD12963548
Smiles
O=C(N1CCC(CC1)(O)C[N+](=O)[O-])OC(C)(C)C
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AC40077
ChemicalName: tert-Butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate
CasNumber: 819800-93-6
MolecularFormula: C11H20N2O5
MolecularWeight: 260.2869
MdlNumber: MFCD12963548
Smiles: O=C(N1CCC(CC1)(O)C[N+](=O)[O-])OC(C)(C)C
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AC40077
ChemicalName:
tert-Butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate
CasNumber:
819800-93-6
MolecularFormula:
C11H20N2O5
MolecularWeight:
260.2869
MdlNumber:
MFCD12963548
Smiles:
O=C(N1CCC(CC1)(O)C[N+](=O)[O-])OC(C)(C)C
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
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Smiles: Cc1cc2OCCCOc2c(c1)C(=O)O
Complexity: __
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Smiles:
Cc1cc2OCCCOc2c(c1)C(=O)O
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Smiles: Brc1ccc(cc1)C=CC(=O)c1cccc(c1)Cl
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Smiles:
Brc1ccc(cc1)C=CC(=O)c1cccc(c1)Cl
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1NCCC1Cc1ccccc1
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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:
O=C1NCCC1Cc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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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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