AG33499
54973-78-3 | Methyl 6-nitronicotinate
Manufacturer: A2B Chem
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CatalogNumber
AG33499
ChemicalName
Methyl 6-nitronicotinate
CasNumber
54973-78-3
MolecularFormula
C7H6N2O4
MolecularWeight
182.1335
MdlNumber
MFCD00091124
Smiles
COC(=O)c1ccc(nc1)[N+](=O)[O-]
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AG33499
ChemicalName: Methyl 6-nitronicotinate
CasNumber: 54973-78-3
MolecularFormula: C7H6N2O4
MolecularWeight: 182.1335
MdlNumber: MFCD00091124
Smiles: COC(=O)c1ccc(nc1)[N+](=O)[O-]
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AG33499
ChemicalName:
Methyl 6-nitronicotinate
CasNumber:
54973-78-3
MolecularFormula:
C7H6N2O4
MolecularWeight:
182.1335
MdlNumber:
MFCD00091124
Smiles:
COC(=O)c1ccc(nc1)[N+](=O)[O-]
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.9
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Smiles: COc1ccc(cc1OC)[C@H](NC(=O)OC(C)(C)C)CC(=O)O
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Smiles:
COc1ccc(cc1OC)[C@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity:
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=N[C@](C(=O)O)(C(C)C)C)OC(C)(C)C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=N[C@](C(=O)O)(C(C)C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__