AG24249
5438-68-6 | O-Acetyl mandelic acid
Manufacturer: A2B Chem
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CatalogNumber
AG24249
ChemicalName
O-Acetyl mandelic acid
CasNumber
5438-68-6
MolecularFormula
C10H10O4
MolecularWeight
194.184
MdlNumber
MFCD00662355
Smiles
OC(=O)C(c1ccccc1)OC(=O)C
NscNumber
14369
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AG24249
ChemicalName: O-Acetyl mandelic acid
CasNumber: 5438-68-6
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD00662355
Smiles: OC(=O)C(c1ccccc1)OC(=O)C
NscNumber: 14369
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AG24249
ChemicalName:
O-Acetyl mandelic acid
CasNumber:
5438-68-6
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD00662355
Smiles:
OC(=O)C(c1ccccc1)OC(=O)C
NscNumber:
14369
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: AG24250
ChemicalName: Methyl 2-hydroxy-2-phenylacetate
CasNumber: 4358-87-6
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00004493
Smiles: COC(=O)C(c1ccccc1)O
NscNumber: 6539
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AG24250
ChemicalName:
Methyl 2-hydroxy-2-phenylacetate
CasNumber:
4358-87-6
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00004493
Smiles:
COC(=O)C(c1ccccc1)O
NscNumber:
6539
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
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Smiles: ClC(=O)[C@@H](c1ccccc1)OC(=O)C
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ClC(=O)[C@@H](c1ccccc1)OC(=O)C
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Smiles: NCC(=O)c1ccc(cc1)[N+](=O)[O-]
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Smiles:
NCC(=O)c1ccc(cc1)[N+](=O)[O-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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