AB62368
36404-89-4 | 2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB62368
ChemicalName
2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde
CasNumber
36404-89-4
MolecularFormula
C6H5NO2
MolecularWeight
123.1094
MdlNumber
MFCD09909918
Smiles
O=c1c(C=O)ccc[nH]1
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AB62368
ChemicalName: 2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde
CasNumber: 36404-89-4
MolecularFormula: C6H5NO2
MolecularWeight: 123.1094
MdlNumber: MFCD09909918
Smiles: O=c1c(C=O)ccc[nH]1
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AB62368
ChemicalName:
2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde
CasNumber:
36404-89-4
MolecularFormula:
C6H5NO2
MolecularWeight:
123.1094
MdlNumber:
MFCD09909918
Smiles:
O=c1c(C=O)ccc[nH]1
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.1
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MolecularFormula: __
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Smiles: CNCc1ccccc1O
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CNCc1ccccc1O
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
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Smiles:
CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
Complexity:
__
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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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Smiles: CCCCCCCCCCCCCCC(C(=O)O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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:
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Smiles:
CCCCCCCCCCCCCCC(C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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