AC24618
856579-28-7 | Methyl 2-hydroxy-5-nitronicotinate
Manufacturer: A2B Chem
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CatalogNumber
AC24618
ChemicalName
Methyl 2-hydroxy-5-nitronicotinate
CasNumber
856579-28-7
MolecularFormula
C7H6N2O5
MolecularWeight
198.1329
MdlNumber
MFCD09971346
Smiles
COC(=O)c1cc(c[nH]c1=O)[N+](=O)[O-]
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.2
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CatalogNumber: AC24618
ChemicalName: Methyl 2-hydroxy-5-nitronicotinate
CasNumber: 856579-28-7
MolecularFormula: C7H6N2O5
MolecularWeight: 198.1329
MdlNumber: MFCD09971346
Smiles: COC(=O)c1cc(c[nH]c1=O)[N+](=O)[O-]
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AC24618
ChemicalName:
Methyl 2-hydroxy-5-nitronicotinate
CasNumber:
856579-28-7
MolecularFormula:
C7H6N2O5
MolecularWeight:
198.1329
MdlNumber:
MFCD09971346
Smiles:
COC(=O)c1cc(c[nH]c1=O)[N+](=O)[O-]
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCCCCCC1(CCCCCC)c2cc(ccc2-c2c1cc(cc2)b1oc2c(o1)cccc2)b1oc2c(o1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
CCCCCCC1(CCCCCC)c2cc(ccc2-c2c1cc(cc2)b1oc2c(o1)cccc2)b1oc2c(o1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: O=C(N[C@H](CS(=O)(=O)O)Cc1ccccc1)OCc1ccccc1
Complexity: __
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Smiles:
O=C(N[C@H](CS(=O)(=O)O)Cc1ccccc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Brc1ccc(cc1)c1csc(n1)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1ccc(cc1)c1csc(n1)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__