AD46317
33445-07-7 | Isopropoxyacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD46317
ChemicalName
Isopropoxyacetic acid
CasNumber
33445-07-7
MolecularFormula
C5H10O3
MolecularWeight
118.1311
MdlNumber
MFCD09055367
Smiles
CC(OCC(=O)O)C
Complexity
77.7
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AD46317
ChemicalName: Isopropoxyacetic acid
CasNumber: 33445-07-7
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD09055367
Smiles: CC(OCC(=O)O)C
Complexity: 77.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AD46317
ChemicalName:
Isopropoxyacetic acid
CasNumber:
33445-07-7
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD09055367
Smiles:
CC(OCC(=O)O)C
Complexity:
77.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]
Complexity:
__
Covalently-bondedUnitCount:
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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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MolecularFormula: __
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Smiles: CCOc1ccccc1C(=S)[O-]
Complexity: __
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Xlogp3: __
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Smiles:
CCOc1ccccc1C(=S)[O-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)ccc(c1)C(=O)O
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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MolecularFormula:
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Smiles:
Clc1ccc2c(c1)c(=O)c1c(o2)ccc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
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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