AF56252
33401-74-0 | (S)-Ethyl 3-hydroxy-3-phenylpropanoate
Manufacturer: A2B Chem
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CatalogNumber
AF56252
ChemicalName
(S)-Ethyl 3-hydroxy-3-phenylpropanoate
CasNumber
33401-74-0
MolecularFormula
C11H14O3
MolecularWeight
194.2271
MdlNumber
MFCD00216721
Smiles
CCOC(=O)C[C@@H](c1ccccc1)O
Complexity
173
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.3
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CatalogNumber: AF56252
ChemicalName: (S)-Ethyl 3-hydroxy-3-phenylpropanoate
CasNumber: 33401-74-0
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD00216721
Smiles: CCOC(=O)C[C@@H](c1ccccc1)O
Complexity: 173
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AF56252
ChemicalName:
(S)-Ethyl 3-hydroxy-3-phenylpropanoate
CasNumber:
33401-74-0
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD00216721
Smiles:
CCOC(=O)C[C@@H](c1ccccc1)O
Complexity:
173
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.3
CatalogNumber: AF56254
ChemicalName: 3-Fluoro-4-nitrophenol
CasNumber: 394-41-2
MolecularFormula: C6H4FNO3
MolecularWeight: 157.0993
MdlNumber: MFCD00041251
Smiles: Oc1ccc(c(c1)F)[N+](=O)[O-]
Complexity: 158
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AF56254
ChemicalName:
3-Fluoro-4-nitrophenol
CasNumber:
394-41-2
MolecularFormula:
C6H4FNO3
MolecularWeight:
157.0993
MdlNumber:
MFCD00041251
Smiles:
Oc1ccc(c(c1)F)[N+](=O)[O-]
Complexity:
158
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AF56256
ChemicalName: (R)-2-Fluoromandelic acid
CasNumber: 32222-48-3
MolecularFormula: C8H7FO3
MolecularWeight: 170.1378
MdlNumber: MFCD04038772
Smiles: OC(=O)[C@@H](c1ccccc1F)O
Complexity: 172
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AF56256
ChemicalName:
(R)-2-Fluoromandelic acid
CasNumber:
32222-48-3
MolecularFormula:
C8H7FO3
MolecularWeight:
170.1378
MdlNumber:
MFCD04038772
Smiles:
OC(=O)[C@@H](c1ccccc1F)O
Complexity:
172
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)CC(C2=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2c(c1)CC(C2=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__