AB93475
885277-06-5 | 4-Methoxy-2-(pyridin-3-yl)butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB93475
ChemicalName
4-Methoxy-2-(pyridin-3-yl)butanoic acid
CasNumber
885277-06-5
MolecularFormula
C10H13NO3
MolecularWeight
195.2151
MdlNumber
MFCD06658466
Smiles
COCCC(c1cccnc1)C(=O)O
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AB93475
ChemicalName: 4-Methoxy-2-(pyridin-3-yl)butanoic acid
CasNumber: 885277-06-5
MolecularFormula: C10H13NO3
MolecularWeight: 195.2151
MdlNumber: MFCD06658466
Smiles: COCCC(c1cccnc1)C(=O)O
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AB93475
ChemicalName:
4-Methoxy-2-(pyridin-3-yl)butanoic acid
CasNumber:
885277-06-5
MolecularFormula:
C10H13NO3
MolecularWeight:
195.2151
MdlNumber:
MFCD06658466
Smiles:
COCCC(c1cccnc1)C(=O)O
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
CatalogNumber: __
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Smiles: Nc1ccccc1c1cccc(n1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
Nc1ccccc1c1cccc(n1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=Cc1cn2c(n1)c(ccc2)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1cn2c(n1)c(ccc2)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Fc1ccc(cc1)N1CCN(CC1)C(c1cc2c(o1)cccc2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)N1CCN(CC1)C(c1cc2c(o1)cccc2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__