AD77826
1083326-41-3 | 1-Carboxymethyl-1H-pyrazole-4-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AD77826
ChemicalName
1-Carboxymethyl-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber
1083326-41-3
MolecularFormula
C11H17BN2O4
MolecularWeight
252.0747
MdlNumber
MFCD16660234
Smiles
OC(=O)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AD77826
ChemicalName: 1-Carboxymethyl-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber: 1083326-41-3
MolecularFormula: C11H17BN2O4
MolecularWeight: 252.0747
MdlNumber: MFCD16660234
Smiles: OC(=O)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AD77826
ChemicalName:
1-Carboxymethyl-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber:
1083326-41-3
MolecularFormula:
C11H17BN2O4
MolecularWeight:
252.0747
MdlNumber:
MFCD16660234
Smiles:
OC(=O)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: O=Cc1sc(nc1C)c1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularWeight:
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Smiles:
O=Cc1sc(nc1C)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(O)[O-])O)n1cc(C)c(=O)[nH]c1=O.[Na+]
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(O)[O-])O)n1cc(C)c(=O)[nH]c1=O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(=O)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O.[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(=O)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__