AB56065
23735-43-5 | (S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AB56065
ChemicalName
(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate
CasNumber
23735-43-5
MolecularFormula
C13H18O5S
MolecularWeight
286.344
MdlNumber
MFCD00063234
Smiles
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1COC(O1)(C)C
Complexity
390
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AB56065
ChemicalName: (S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate
CasNumber: 23735-43-5
MolecularFormula: C13H18O5S
MolecularWeight: 286.344
MdlNumber: MFCD00063234
Smiles: Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1COC(O1)(C)C
Complexity: 390
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AB56065
ChemicalName:
(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate
CasNumber:
23735-43-5
MolecularFormula:
C13H18O5S
MolecularWeight:
286.344
MdlNumber:
MFCD00063234
Smiles:
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1COC(O1)(C)C
Complexity:
390
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: __
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Smiles: c1ccc(cc1)P(c1ccccc1)c1ccccc1.CC([C@H]1COC(=N1)C1=C(C(C=C1)[Fe]C1C=CC=C1)P(c1ccccc1)c1ccccc1)C.Cl[Ru]Cl
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.CC([C@H]1COC(=N1)C1=C(C(C=C1)[Fe]C1C=CC=C1)P(c1ccccc1)c1ccccc1)C.Cl[Ru]Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Cc1ccccc1P(c1ccccc1C)c1ccccc1C1=N[C@H](CO1)C(C)(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
Cc1ccccc1P(c1ccccc1C)c1ccccc1C1=N[C@H](CO1)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)[C@]1(N)CCc2c(C1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@]1(N)CCc2c(C1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__