AB11524
18996-35-5 | Sodium dihydrogen citrate
Manufacturer: A2B Chem
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CatalogNumber
AB11524
ChemicalName
Sodium dihydrogen citrate
CasNumber
18996-35-5
MolecularFormula
C6H7NaO7
MolecularWeight
214.1053
MdlNumber
MFCD00013067
Smiles
[O-]C(=O)CC(C(=O)O)(CC(=O)O)O.[Na+]
Complexity
251
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB11524
ChemicalName: Sodium dihydrogen citrate
CasNumber: 18996-35-5
MolecularFormula: C6H7NaO7
MolecularWeight: 214.1053
MdlNumber: MFCD00013067
Smiles: [O-]C(=O)CC(C(=O)O)(CC(=O)O)O.[Na+]
Complexity: 251
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB11524
ChemicalName:
Sodium dihydrogen citrate
CasNumber:
18996-35-5
MolecularFormula:
C6H7NaO7
MolecularWeight:
214.1053
MdlNumber:
MFCD00013067
Smiles:
[O-]C(=O)CC(C(=O)O)(CC(=O)O)O.[Na+]
Complexity:
251
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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MolecularFormula: __
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Smiles: [O-]C(=O)CCCCC(=O)O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
[O-]C(=O)CCCCC(=O)O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: OC(=O)C(Oc1cc(C)ccc1C)C
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)C(Oc1cc(C)ccc1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: N1CCN(CC1)C1CCc2c(C1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
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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:
N1CCN(CC1)C1CCc2c(C1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__