AD66213
17407-55-5 | (S)-(+)-2-Hydroxy-3-methylbutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AD66213
ChemicalName
(S)-(+)-2-Hydroxy-3-methylbutyric acid
CasNumber
17407-55-5
MolecularFormula
C5H10O3
MolecularWeight
118.1311
MdlNumber
MFCD00066443
Smiles
O[C@H](C(=O)O)C(C)C
Complexity
87.7
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AD66213
ChemicalName: (S)-(+)-2-Hydroxy-3-methylbutyric acid
CasNumber: 17407-55-5
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD00066443
Smiles: O[C@H](C(=O)O)C(C)C
Complexity: 87.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AD66213
ChemicalName:
(S)-(+)-2-Hydroxy-3-methylbutyric acid
CasNumber:
17407-55-5
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD00066443
Smiles:
O[C@H](C(=O)O)C(C)C
Complexity:
87.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C[C@@H]1CO1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)C[C@@H]1CO1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Fc1cnc2c(n1)ccc(c2)C(F)(F)F
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Fc1cnc2c(n1)ccc(c2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1cc(OC[C@@H]2CNCC[C@H]2c2ccc(cc2)F)ccc1O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(OC[C@@H]2CNCC[C@H]2c2ccc(cc2)F)ccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__