AB55411
84025-81-0 | O-Methyl-D-prolinol
Manufacturer: A2B Chem
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CatalogNumber
AB55411
ChemicalName
O-Methyl-D-prolinol
CasNumber
84025-81-0
MolecularFormula
C6H13NO
MolecularWeight
115.1735
MdlNumber
MFCD00066219
Smiles
COC[C@H]1CCCN1
Complexity
65.5
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AB55411
ChemicalName: O-Methyl-D-prolinol
CasNumber: 84025-81-0
MolecularFormula: C6H13NO
MolecularWeight: 115.1735
MdlNumber: MFCD00066219
Smiles: COC[C@H]1CCCN1
Complexity: 65.5
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AB55411
ChemicalName:
O-Methyl-D-prolinol
CasNumber:
84025-81-0
MolecularFormula:
C6H13NO
MolecularWeight:
115.1735
MdlNumber:
MFCD00066219
Smiles:
COC[C@H]1CCCN1
Complexity:
65.5
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H](C(F)(F)F)c1c2ccccc2cc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H](C(F)(F)F)c1c2ccccc2cc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB55413
ChemicalName: (R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate
CasNumber: 23788-74-1
MolecularFormula: C13H18O5S
MolecularWeight: 286.344
MdlNumber: MFCD00063233
Smiles: Cc1ccc(cc1)S(=O)(=O)OC[C@H]1COC(O1)(C)C
Complexity: 390
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AB55413
ChemicalName:
(R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate
CasNumber:
23788-74-1
MolecularFormula:
C13H18O5S
MolecularWeight:
286.344
MdlNumber:
MFCD00063233
Smiles:
Cc1ccc(cc1)S(=O)(=O)OC[C@H]1COC(O1)(C)C
Complexity:
390
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC[C@H](N)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC[C@H](N)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__