AB57196
365564-05-2 | 1,3,5-Phenyltriboronic acid, tris(pinacol) ester
Manufacturer: A2B Chem
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CatalogNumber
AB57196
ChemicalName
1,3,5-Phenyltriboronic acid, tris(pinacol) ester
CasNumber
365564-05-2
MolecularFormula
C24H39B3O6
MolecularWeight
455.9959
MdlNumber
MFCD17167305
Smiles
CC1(C)OB(OC1(C)C)c1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity
605
Covalently-bondedUnitCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
6
RotatableBondCount
3
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CatalogNumber: AB57196
ChemicalName: 1,3,5-Phenyltriboronic acid, tris(pinacol) ester
CasNumber: 365564-05-2
MolecularFormula: C24H39B3O6
MolecularWeight: 455.9959
MdlNumber: MFCD17167305
Smiles: CC1(C)OB(OC1(C)C)c1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity: 605
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
CatalogNumber:
AB57196
ChemicalName:
1,3,5-Phenyltriboronic acid, tris(pinacol) ester
CasNumber:
365564-05-2
MolecularFormula:
C24H39B3O6
MolecularWeight:
455.9959
MdlNumber:
MFCD17167305
Smiles:
CC1(C)OB(OC1(C)C)c1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity:
605
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
CatalogNumber: AB57197
ChemicalName: 1,3,5-Benzenetrimethanol
CasNumber: 4464-18-0
MolecularFormula: C9H12O3
MolecularWeight: 168.1898
MdlNumber: MFCD01108484
Smiles: OCc1cc(CO)cc(c1)CO
Complexity: 91.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB57197
ChemicalName:
1,3,5-Benzenetrimethanol
CasNumber:
4464-18-0
MolecularFormula:
C9H12O3
MolecularWeight:
168.1898
MdlNumber:
MFCD01108484
Smiles:
OCc1cc(CO)cc(c1)CO
Complexity:
91.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
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Smiles: Sc1cc(S)cc(c1)S
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Sc1cc(S)cc(c1)S
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Smiles: OC(=O)C1CC(CC(C1)C(=O)O)C(=O)O
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Smiles:
OC(=O)C1CC(CC(C1)C(=O)O)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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