AI51628
51828-94-5 | 3-Methyl-2-oxobutyric acid calcium salt
Manufacturer: A2B Chem
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CatalogNumber
AI51628
ChemicalName
3-Methyl-2-oxobutyric acid calcium salt
CasNumber
51828-94-5
MolecularFormula
C10H14CaO6
MolecularWeight
270.2926
MdlNumber
MFCD00002580
Smiles
CC(C(=O)C(=O)[O-])C.CC(C(=O)C(=O)[O-])C.[Ca+2]
Complexity
109
Covalently-bondedUnitCount
3
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
RotatableBondCount
2
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CatalogNumber: AI51628
ChemicalName: 3-Methyl-2-oxobutyric acid calcium salt
CasNumber: 51828-94-5
MolecularFormula: C10H14CaO6
MolecularWeight: 270.2926
MdlNumber: MFCD00002580
Smiles: CC(C(=O)C(=O)[O-])C.CC(C(=O)C(=O)[O-])C.[Ca+2]
Complexity: 109
Covalently-bondedUnitCount: 3
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
CatalogNumber:
AI51628
ChemicalName:
3-Methyl-2-oxobutyric acid calcium salt
CasNumber:
51828-94-5
MolecularFormula:
C10H14CaO6
MolecularWeight:
270.2926
MdlNumber:
MFCD00002580
Smiles:
CC(C(=O)C(=O)[O-])C.CC(C(=O)C(=O)[O-])C.[Ca+2]
Complexity:
109
Covalently-bondedUnitCount:
3
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-]C(=O)C(=O)[C@H](CC)C.[O-]C(=O)C(=O)[C@H](CC)C.[Ca+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
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:
[O-]C(=O)C(=O)[C@H](CC)C.[O-]C(=O)C(=O)[C@H](CC)C.[Ca+2]
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COc1c(OC)cc(cc1OC)C(c1ccc(cc1)C(F)(F)F)N1CCNCC1
Complexity: __
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HeavyAtomCount: __
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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:
COc1c(OC)cc(cc1OC)C(c1ccc(cc1)C(F)(F)F)N1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OCCSCc1c(Cl)cccc1Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
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:
OCCSCc1c(Cl)cccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__