AG23970
497959-45-2 | 5,5-Dimethylcyclohex-2-en-1-one-3-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AG23970
ChemicalName
5,5-Dimethylcyclohex-2-en-1-one-3-boronic acid pinacol ester
CasNumber
497959-45-2
MolecularFormula
C14H23BO3
MolecularWeight
250.1416
MdlNumber
MFCD22189452
Smiles
O=C1C=C(CC(C1)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity
391
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
1
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CatalogNumber: AG23970
ChemicalName: 5,5-Dimethylcyclohex-2-en-1-one-3-boronic acid pinacol ester
CasNumber: 497959-45-2
MolecularFormula: C14H23BO3
MolecularWeight: 250.1416
MdlNumber: MFCD22189452
Smiles: O=C1C=C(CC(C1)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AG23970
ChemicalName:
5,5-Dimethylcyclohex-2-en-1-one-3-boronic acid pinacol ester
CasNumber:
497959-45-2
MolecularFormula:
C14H23BO3
MolecularWeight:
250.1416
MdlNumber:
MFCD22189452
Smiles:
O=C1C=C(CC(C1)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
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Smiles: COc1ccc(cc1)c1ccc(cc1N)C(=O)C
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Smiles:
COc1ccc(cc1)c1ccc(cc1N)C(=O)C
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Smiles: O=C(c1cccc(c1Cl)Cl)c1ccccn1
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Smiles:
O=C(c1cccc(c1Cl)Cl)c1ccccn1
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HydrogenBondAcceptorCount:
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Smiles: OC(=O)Cc1c(C)cc(c(c1C)O)C(C)(C)C
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HydrogenBondAcceptorCount: __
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CatalogNumber:
__
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:
OC(=O)Cc1c(C)cc(c(c1C)O)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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