AB76274
117961-20-3 | Mops hemisodium salt
Manufacturer: A2B Chem
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CatalogNumber
AB76274
ChemicalName
Mops hemisodium salt
CasNumber
117961-20-3
MolecularFormula
C14H30N2NaO8S2
MolecularWeight
441.5164
MdlNumber
MFCD00079461
Smiles
OS(=O)(=O)CCCN1CCOCC1.OS(=O)(=O)CCCN1CCOCC1.[Na]
Complexity
460
Covalently-bondedUnitCount
3
HeavyAtomCount
27
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
8
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CatalogNumber: AB76274
ChemicalName: Mops hemisodium salt
CasNumber: 117961-20-3
MolecularFormula: C14H30N2NaO8S2
MolecularWeight: 441.5164
MdlNumber: MFCD00079461
Smiles: OS(=O)(=O)CCCN1CCOCC1.OS(=O)(=O)CCCN1CCOCC1.[Na]
Complexity: 460
Covalently-bondedUnitCount: 3
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 8
CatalogNumber:
AB76274
ChemicalName:
Mops hemisodium salt
CasNumber:
117961-20-3
MolecularFormula:
C14H30N2NaO8S2
MolecularWeight:
441.5164
MdlNumber:
MFCD00079461
Smiles:
OS(=O)(=O)CCCN1CCOCC1.OS(=O)(=O)CCCN1CCOCC1.[Na]
Complexity:
460
Covalently-bondedUnitCount:
3
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
8
CatalogNumber: __
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Smiles: CC(=O)Nc1cccc2c1c(N=Nc1cc(Cl)cc(c1O)S(=O)(=O)[O-])c(cc2)O.[Na+]
Complexity: __
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Smiles:
CC(=O)Nc1cccc2c1c(N=Nc1cc(Cl)cc(c1O)S(=O)(=O)[O-])c(cc2)O.[Na+]
Complexity:
__
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Smiles: OC(=O)c1cc(/N=N/c2ccc3c(c2)ccc(c3)S(=O)(=O)O)ccc1O.[Na]
Complexity: __
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MolecularFormula:
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Smiles:
OC(=O)c1cc(/N=N/c2ccc3c(c2)ccc(c3)S(=O)(=O)O)ccc1O.[Na]
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O.O
Complexity: __
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CatalogNumber:
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MolecularFormula:
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Smiles:
Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__