AI38442
16455-61-1 | Sodium ferric eddha
Manufacturer: A2B Chem
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CatalogNumber
AI38442
ChemicalName
Sodium ferric eddha
CasNumber
16455-61-1
MolecularFormula
C18H14FeN2NaO6
MolecularWeight
433.1483
MdlNumber
MFCD09752833
Smiles
O=C1O[Fe-]2345N(C1c1ccccc1O3)CCN5C(C(=O)O2)c1c(O4)cccc1.[Na+]
Complexity
487
Covalently-bondedUnitCount
3
HeavyAtomCount
28
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
5
RotatableBondCount
1
UndefinedAtomStereocenterCount
2
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CatalogNumber: AI38442
ChemicalName: Sodium ferric eddha
CasNumber: 16455-61-1
MolecularFormula: C18H14FeN2NaO6
MolecularWeight: 433.1483
MdlNumber: MFCD09752833
Smiles: O=C1O[Fe-]2345N(C1c1ccccc1O3)CCN5C(C(=O)O2)c1c(O4)cccc1.[Na+]
Complexity: 487
Covalently-bondedUnitCount: 3
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 5
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 2
CatalogNumber:
AI38442
ChemicalName:
Sodium ferric eddha
CasNumber:
16455-61-1
MolecularFormula:
C18H14FeN2NaO6
MolecularWeight:
433.1483
MdlNumber:
MFCD09752833
Smiles:
O=C1O[Fe-]2345N(C1c1ccccc1O3)CCN5C(C(=O)O2)c1c(O4)cccc1.[Na+]
Complexity:
487
Covalently-bondedUnitCount:
3
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
5
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
2
CatalogNumber: __
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Smiles: O=C(c1c[nH]nc1N)OC(C)(C)C
Complexity: __
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Smiles:
O=C(c1c[nH]nc1N)OC(C)(C)C
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Smiles: Brc1ccn(c(=O)c1)C(C)C
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Brc1ccn(c(=O)c1)C(C)C
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Smiles: CN(C)C=CC(=O)C1=CC2=C(C=C1)OCO2
Complexity: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CN(C)C=CC(=O)C1=CC2=C(C=C1)OCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__