AB12406
19089-60-2 | 2-Sulfoterephthalic acid monosodium salt
Manufacturer: A2B Chem
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CatalogNumber
AB12406
ChemicalName
2-Sulfoterephthalic acid monosodium salt
CasNumber
19089-60-2
MolecularFormula
C8H6NaO7S
MolecularWeight
269.18381000000005
MdlNumber
MFCD00059843
Smiles
OC(=O)c1ccc(c(c1)S(=O)(=O)O)C(=O)O.[Na]
Complexity
399
Covalently-bondedUnitCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AB12406
ChemicalName: 2-Sulfoterephthalic acid monosodium salt
CasNumber: 19089-60-2
MolecularFormula: C8H6NaO7S
MolecularWeight: 269.18381000000005
MdlNumber: MFCD00059843
Smiles: OC(=O)c1ccc(c(c1)S(=O)(=O)O)C(=O)O.[Na]
Complexity: 399
Covalently-bondedUnitCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AB12406
ChemicalName:
2-Sulfoterephthalic acid monosodium salt
CasNumber:
19089-60-2
MolecularFormula:
C8H6NaO7S
MolecularWeight:
269.18381000000005
MdlNumber:
MFCD00059843
Smiles:
OC(=O)c1ccc(c(c1)S(=O)(=O)O)C(=O)O.[Na]
Complexity:
399
Covalently-bondedUnitCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
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MolecularFormula: __
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Smiles: [O-]C(=O)c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-]C(=O)c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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MolecularFormula: __
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MdlNumber: __
Smiles: CCOC(CO)C
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Smiles:
CCOC(CO)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: N#Cc1cc2ccc(cc2oc1=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1cc2ccc(cc2oc1=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__