AI55433
72-48-0 | Alizarin
Manufacturer: A2B Chem
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CatalogNumber
AI55433
ChemicalName
Alizarin
CasNumber
72-48-0
MolecularFormula
C14H8O4
MolecularWeight
240.2109
MdlNumber
MFCD00001201
Smiles
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
NscNumber
7212
Complexity
378
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
Xlogp3
3.2
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CatalogNumber: AI55433
ChemicalName: Alizarin
CasNumber: 72-48-0
MolecularFormula: C14H8O4
MolecularWeight: 240.2109
MdlNumber: MFCD00001201
Smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
NscNumber: 7212
Complexity: 378
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
Xlogp3: 3.2
CatalogNumber:
AI55433
ChemicalName:
Alizarin
CasNumber:
72-48-0
MolecularFormula:
C14H8O4
MolecularWeight:
240.2109
MdlNumber:
MFCD00001201
Smiles:
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
NscNumber:
7212
Complexity:
378
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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Smiles:
Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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Smiles: CCOC(=O)COc1ccc2c(c1)oc(=O)cc2
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__
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Smiles:
CCOC(=O)COc1ccc2c(c1)oc(=O)cc2
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Xlogp3:
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Smiles: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(O)[O-])[O-])n1cnc2c1ncnc2N.[Na+].[Na+]
NscNumber: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(O)[O-])[O-])n1cnc2c1ncnc2N.[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__