AD94366
863921-57-7 | 3-(6-Methoxypyridin-3-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD94366
ChemicalName
3-(6-Methoxypyridin-3-yl)benzoic acid
CasNumber
863921-57-7
MolecularFormula
C13H11NO3
MolecularWeight
229.2313
MdlNumber
MFCD06801889
Smiles
COc1ccc(cn1)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: AD94366
ChemicalName: 3-(6-Methoxypyridin-3-yl)benzoic acid
CasNumber: 863921-57-7
MolecularFormula: C13H11NO3
MolecularWeight: 229.2313
MdlNumber: MFCD06801889
Smiles: COc1ccc(cn1)c1cccc(c1)C(=O)O
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AD94366
ChemicalName:
3-(6-Methoxypyridin-3-yl)benzoic acid
CasNumber:
863921-57-7
MolecularFormula:
C13H11NO3
MolecularWeight:
229.2313
MdlNumber:
MFCD06801889
Smiles:
COc1ccc(cn1)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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Smiles: Br/C=C/c1cn(c(=O)[nH]c1=O)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Complexity: __
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HydrogenBondDonorCount: __
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Smiles:
Br/C=C/c1cn(c(=O)[nH]c1=O)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: CCN(C(=O)Oc1cccc(c1Br)I)CC
Complexity: __
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Smiles:
CCN(C(=O)Oc1cccc(c1Br)I)CC
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1B1OC(C(O1)(C)C)(C)C)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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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:
N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1B1OC(C(O1)(C)C)(C)C)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__