AI63324
944998-13-4 | 3-(2-Methoxy-3-pyridinyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI63324
ChemicalName
3-(2-Methoxy-3-pyridinyl)propanoic acid
CasNumber
944998-13-4
MolecularFormula
C9H11NO3
MolecularWeight
181.1885
MdlNumber
MFCD20657531
Smiles
COc1ncccc1CCC(=O)O
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AI63324
ChemicalName: 3-(2-Methoxy-3-pyridinyl)propanoic acid
CasNumber: 944998-13-4
MolecularFormula: C9H11NO3
MolecularWeight: 181.1885
MdlNumber: MFCD20657531
Smiles: COc1ncccc1CCC(=O)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AI63324
ChemicalName:
3-(2-Methoxy-3-pyridinyl)propanoic acid
CasNumber:
944998-13-4
MolecularFormula:
C9H11NO3
MolecularWeight:
181.1885
MdlNumber:
MFCD20657531
Smiles:
COc1ncccc1CCC(=O)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: AI63325
ChemicalName: 3-(2-Fluoropyridin-3-yl)propanoic acid
CasNumber: 944998-14-5
MolecularFormula: C8H8FNO2
MolecularWeight: 169.153
MdlNumber: MFCD18803197
Smiles: OC(=O)CCc1cccnc1F
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AI63325
ChemicalName:
3-(2-Fluoropyridin-3-yl)propanoic acid
CasNumber:
944998-14-5
MolecularFormula:
C8H8FNO2
MolecularWeight:
169.153
MdlNumber:
MFCD18803197
Smiles:
OC(=O)CCc1cccnc1F
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
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MolecularFormula: __
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Smiles: OC(=O)CCc1ccc(nc1)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)CCc1ccc(nc1)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(c1ccccc1)C1CCCCC1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(c1ccccc1)C1CCCCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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