AI36631
1492954-33-2 | 4-Methyl-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazole-5-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI36631
ChemicalName
4-Methyl-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazole-5-boronic acid pinacol ester
CasNumber
1492954-33-2
MolecularFormula
C15H25BN2O3
MolecularWeight
292.1816
MdlNumber
MFCD09837627
Smiles
Cc1cnn(c1B1OC(C(O1)(C)C)(C)C)C1CCCCO1
Complexity
375
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI36631
ChemicalName: 4-Methyl-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazole-5-boronic acid pinacol ester
CasNumber: 1492954-33-2
MolecularFormula: C15H25BN2O3
MolecularWeight: 292.1816
MdlNumber: MFCD09837627
Smiles: Cc1cnn(c1B1OC(C(O1)(C)C)(C)C)C1CCCCO1
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI36631
ChemicalName:
4-Methyl-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazole-5-boronic acid pinacol ester
CasNumber:
1492954-33-2
MolecularFormula:
C15H25BN2O3
MolecularWeight:
292.1816
MdlNumber:
MFCD09837627
Smiles:
Cc1cnn(c1B1OC(C(O1)(C)C)(C)C)C1CCCCO1
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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MolecularFormula: __
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Smiles: OCCOCCOCC(=O)OC(C)(C)C
Complexity: 173
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HeavyAtomCount: __
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Smiles:
OCCOCCOCC(=O)OC(C)(C)C
Complexity:
173
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: C[C@@H]1CCC[C@@H](O)C=CC(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](NC2=O)Cc1ccccc1)C
Complexity: __
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Smiles:
C[C@@H]1CCC[C@@H](O)C=CC(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](NC2=O)Cc1ccccc1)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C
Complexity: 334
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
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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:
CCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C
Complexity:
334
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__