AF56743
39931-77-6 | Ethyl 3-pyridylacetate
Manufacturer: A2B Chem
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CatalogNumber
AF56743
ChemicalName
Ethyl 3-pyridylacetate
CasNumber
39931-77-6
MolecularFormula
C9H11NO2
MolecularWeight
165.18913999999998
MdlNumber
MFCD09028670
Smiles
CCOC(=O)Cc1cccnc1
NscNumber
76091
Complexity
148
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AF56743
ChemicalName: Ethyl 3-pyridylacetate
CasNumber: 39931-77-6
MolecularFormula: C9H11NO2
MolecularWeight: 165.18913999999998
MdlNumber: MFCD09028670
Smiles: CCOC(=O)Cc1cccnc1
NscNumber: 76091
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AF56743
ChemicalName:
Ethyl 3-pyridylacetate
CasNumber:
39931-77-6
MolecularFormula:
C9H11NO2
MolecularWeight:
165.18913999999998
MdlNumber:
MFCD09028670
Smiles:
CCOC(=O)Cc1cccnc1
NscNumber:
76091
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
0.6
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Smiles: COc1ncnc(c1)[N-]S(=O)(=O)c1ccc(cc1)N.[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ncnc(c1)[N-]S(=O)(=O)c1ccc(cc1)N.[Na+]
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(Sc1nc(C)cc(n1)C)OCc1ccccc1
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MolecularFormula:
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Smiles:
O=C(Sc1nc(C)cc(n1)C)OCc1ccccc1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCOc1ccc(c(c1)O)n1nc2c(n1)cccc2
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Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCOc1ccc(c(c1)O)n1nc2c(n1)cccc2
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__