AI37444
1554504-76-5 | 3-(2-Methoxypyridin-4-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI37444
ChemicalName
3-(2-Methoxypyridin-4-yl)benzoic acid
CasNumber
1554504-76-5
MolecularFormula
C13H11NO3
MolecularWeight
229.2313
MdlNumber
MFCD25242237
Smiles
COc1nccc(c1)c1cccc(c1)C(=O)O
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AI37444
ChemicalName: 3-(2-Methoxypyridin-4-yl)benzoic acid
CasNumber: 1554504-76-5
MolecularFormula: C13H11NO3
MolecularWeight: 229.2313
MdlNumber: MFCD25242237
Smiles: COc1nccc(c1)c1cccc(c1)C(=O)O
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AI37444
ChemicalName:
3-(2-Methoxypyridin-4-yl)benzoic acid
CasNumber:
1554504-76-5
MolecularFormula:
C13H11NO3
MolecularWeight:
229.2313
MdlNumber:
MFCD25242237
Smiles:
COc1nccc(c1)c1cccc(c1)C(=O)O
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC1(F)CNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCC1(F)CNCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: CCOC(=O)C1CCN(CC1)C(=O)CN=[N+]=[N-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)C1CCN(CC1)C(=O)CN=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: NCCCOC1COC1
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCCCOC1COC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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