AE15838
1187055-81-7 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-enone
Manufacturer: A2B Chem
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CatalogNumber
AE15838
ChemicalName
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-enone
CasNumber
1187055-81-7
MolecularFormula
C12H19BO3
MolecularWeight
222.0885
MdlNumber
MFCD18383337
Smiles
O=C1CCCC(=C1)B1OC(C(O1)(C)C)(C)C
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
1
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CatalogNumber: AE15838
ChemicalName: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-enone
CasNumber: 1187055-81-7
MolecularFormula: C12H19BO3
MolecularWeight: 222.0885
MdlNumber: MFCD18383337
Smiles: O=C1CCCC(=C1)B1OC(C(O1)(C)C)(C)C
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AE15838
ChemicalName:
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-enone
CasNumber:
1187055-81-7
MolecularFormula:
C12H19BO3
MolecularWeight:
222.0885
MdlNumber:
MFCD18383337
Smiles:
O=C1CCCC(=C1)B1OC(C(O1)(C)C)(C)C
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
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Smiles: COC([C@@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1
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COC([C@@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1
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Smiles: O=C1NCC2(C1)COC2
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O=C1NCC2(C1)COC2
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Smiles: Cc1c(ccnc1CSc1nc2c(n1Cc1nccc(c1C)OCC(F)(F)F)cccc2)OCC(F)(F)F
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Smiles:
Cc1c(ccnc1CSc1nc2c(n1Cc1nccc(c1C)OCC(F)(F)F)cccc2)OCC(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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