AA78919
156896-54-7 | Ethyl 2-hydroxy-5-nitronicotinate
Manufacturer: A2B Chem
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CatalogNumber
AA78919
ChemicalName
Ethyl 2-hydroxy-5-nitronicotinate
CasNumber
156896-54-7
MolecularFormula
C8H8N2O5
MolecularWeight
212.1595
MdlNumber
MFCD10699720
Smiles
CCOC(=O)c1cc(c[nH]c1=O)[N+](=O)[O-]
Complexity
377
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.2
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CatalogNumber: AA78919
ChemicalName: Ethyl 2-hydroxy-5-nitronicotinate
CasNumber: 156896-54-7
MolecularFormula: C8H8N2O5
MolecularWeight: 212.1595
MdlNumber: MFCD10699720
Smiles: CCOC(=O)c1cc(c[nH]c1=O)[N+](=O)[O-]
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.2
CatalogNumber:
AA78919
ChemicalName:
Ethyl 2-hydroxy-5-nitronicotinate
CasNumber:
156896-54-7
MolecularFormula:
C8H8N2O5
MolecularWeight:
212.1595
MdlNumber:
MFCD10699720
Smiles:
CCOC(=O)c1cc(c[nH]c1=O)[N+](=O)[O-]
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: O=C(NCC(N)(C)C)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=C(NCC(N)(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)O)C1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)C1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1cc(O)ccc1I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1cc(O)ccc1I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__