AB42904
44864-47-3 | (R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB42904
ChemicalName
(R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid
CasNumber
44864-47-3
MolecularFormula
C4H5F3O3
MolecularWeight
158.0759
MdlNumber
MFCD03095400
Smiles
OC(=O)[C@](C(F)(F)F)(O)C
Complexity
152
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB42904
ChemicalName: (R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid
CasNumber: 44864-47-3
MolecularFormula: C4H5F3O3
MolecularWeight: 158.0759
MdlNumber: MFCD03095400
Smiles: OC(=O)[C@](C(F)(F)F)(O)C
Complexity: 152
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB42904
ChemicalName:
(R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid
CasNumber:
44864-47-3
MolecularFormula:
C4H5F3O3
MolecularWeight:
158.0759
MdlNumber:
MFCD03095400
Smiles:
OC(=O)[C@](C(F)(F)F)(O)C
Complexity:
152
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: AB42905
ChemicalName: Boc-(r)-3-amino-4-(2-fluoro-phenyl)-butyric acid
CasNumber: 218608-98-1
MolecularFormula: C15H20FNO4
MolecularWeight: 297.322
MdlNumber: MFCD01076278
Smiles: OC(=O)C[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C
Complexity: 367
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.5
CatalogNumber:
AB42905
ChemicalName:
Boc-(r)-3-amino-4-(2-fluoro-phenyl)-butyric acid
CasNumber:
218608-98-1
MolecularFormula:
C15H20FNO4
MolecularWeight:
297.322
MdlNumber:
MFCD01076278
Smiles:
OC(=O)C[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C
Complexity:
367
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.5
CatalogNumber: AB42906
ChemicalName: (R)-3-Amino-3-phenylpropionic acid
CasNumber: 13921-90-9
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD01076237
Smiles: N[C@@H](c1ccccc1)CC(=O)O
Complexity: 153
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -1.4
CatalogNumber:
AB42906
ChemicalName:
(R)-3-Amino-3-phenylpropionic acid
CasNumber:
13921-90-9
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD01076237
Smiles:
N[C@@H](c1ccccc1)CC(=O)O
Complexity:
153
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-1.4
CatalogNumber: __
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Smiles: O=C1OCC[C@H]1O
Complexity: __
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Smiles:
O=C1OCC[C@H]1O
Complexity:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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