AA99233
176526-00-4 | 2-(4-Pyridinyl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AA99233
ChemicalName
2-(4-Pyridinyl)benzaldehyde
CasNumber
176526-00-4
MolecularFormula
C12H9NO
MolecularWeight
183.206
MdlNumber
MFCD02684098
Smiles
O=Cc1ccccc1c1ccncc1
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AA99233
ChemicalName: 2-(4-Pyridinyl)benzaldehyde
CasNumber: 176526-00-4
MolecularFormula: C12H9NO
MolecularWeight: 183.206
MdlNumber: MFCD02684098
Smiles: O=Cc1ccccc1c1ccncc1
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AA99233
ChemicalName:
2-(4-Pyridinyl)benzaldehyde
CasNumber:
176526-00-4
MolecularFormula:
C12H9NO
MolecularWeight:
183.206
MdlNumber:
MFCD02684098
Smiles:
O=Cc1ccccc1c1ccncc1
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
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Smiles: CCOC(=O)C1(C)CCCNC1.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CCOC(=O)C1(C)CCCNC1.Cl
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1OCC(=C1)C=CC1(C)C2CCC=C(C2(C)C(C(C1(C)O)OC(=O)c1cccnc1)OC(=O)c1cccnc1)C
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Smiles:
O=C1OCC(=C1)C=CC1(C)C2CCC=C(C2(C)C(C(C1(C)O)OC(=O)c1cccnc1)OC(=O)c1cccnc1)C
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=c1[nH]c(Cc2ccccc2)c(c(=O)[nH]1)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=c1[nH]c(Cc2ccccc2)c(c(=O)[nH]1)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__