AB44104
106984-91-2 | 6-Oxo-1,6-dihydro-pyridine-3-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB44104
ChemicalName
6-Oxo-1,6-dihydro-pyridine-3-carbaldehyde
CasNumber
106984-91-2
MolecularFormula
C6H5NO2
MolecularWeight
123.1094
MdlNumber
MFCD03094941
Smiles
O=Cc1ccc(=O)[nH]c1
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.6
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CatalogNumber: AB44104
ChemicalName: 6-Oxo-1,6-dihydro-pyridine-3-carbaldehyde
CasNumber: 106984-91-2
MolecularFormula: C6H5NO2
MolecularWeight: 123.1094
MdlNumber: MFCD03094941
Smiles: O=Cc1ccc(=O)[nH]c1
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.6
CatalogNumber:
AB44104
ChemicalName:
6-Oxo-1,6-dihydro-pyridine-3-carbaldehyde
CasNumber:
106984-91-2
MolecularFormula:
C6H5NO2
MolecularWeight:
123.1094
MdlNumber:
MFCD03094941
Smiles:
O=Cc1ccc(=O)[nH]c1
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)C(=O)C)O
Complexity: 167
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)C(=O)C)O
Complexity:
167
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: AB44106
ChemicalName: 3-Nitro-5-(trifluoromethyl)pyridin-2-ol
CasNumber: 33252-64-1
MolecularFormula: C6H3F3N2O3
MolecularWeight: 208.0948
MdlNumber: MFCD00153193
Smiles: [O-][N+](=O)c1cc(c[nH]c1=O)C(F)(F)F
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
AB44106
ChemicalName:
3-Nitro-5-(trifluoromethyl)pyridin-2-ol
CasNumber:
33252-64-1
MolecularFormula:
C6H3F3N2O3
MolecularWeight:
208.0948
MdlNumber:
MFCD00153193
Smiles:
[O-][N+](=O)c1cc(c[nH]c1=O)C(F)(F)F
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1cc(ccc1O)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1cc(ccc1O)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__