AC75453
70254-52-3 | Ethyl 2,4-dihydroxy-6-methylnicotinate
Manufacturer: A2B Chem
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CatalogNumber
AC75453
ChemicalName
Ethyl 2,4-dihydroxy-6-methylnicotinate
CasNumber
70254-52-3
MolecularFormula
C9H11NO4
MolecularWeight
197.1879
MdlNumber
MFCD02929397
Smiles
CCOC(=O)c1c(O)cc(nc1O)C
NscNumber
109231
Complexity
341
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AC75453
ChemicalName: Ethyl 2,4-dihydroxy-6-methylnicotinate
CasNumber: 70254-52-3
MolecularFormula: C9H11NO4
MolecularWeight: 197.1879
MdlNumber: MFCD02929397
Smiles: CCOC(=O)c1c(O)cc(nc1O)C
NscNumber: 109231
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AC75453
ChemicalName:
Ethyl 2,4-dihydroxy-6-methylnicotinate
CasNumber:
70254-52-3
MolecularFormula:
C9H11NO4
MolecularWeight:
197.1879
MdlNumber:
MFCD02929397
Smiles:
CCOC(=O)c1c(O)cc(nc1O)C
NscNumber:
109231
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.9
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Smiles: COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)CCC(=O)O
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Smiles:
COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)CCC(=O)O
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Smiles: CC1=NN(C(=O)C1N=Nc1cc(ccc1S(=O)(=O)[O-])NC(=O)C(=C)Br)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-].[Na+].[Na+]
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Smiles:
CC1=NN(C(=O)C1N=Nc1cc(ccc1S(=O)(=O)[O-])NC(=O)C(=C)Br)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-].[Na+].[Na+]
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
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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:
CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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