AI62854
940911-03-5 | 5-Ethynylpicolinaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AI62854
ChemicalName
5-Ethynylpicolinaldehyde
CasNumber
940911-03-5
MolecularFormula
C8H5NO
MolecularWeight
131.1314
MdlNumber
MFCD18256079
Smiles
O=Cc1ccc(cn1)C#C
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AI62854
ChemicalName: 5-Ethynylpicolinaldehyde
CasNumber: 940911-03-5
MolecularFormula: C8H5NO
MolecularWeight: 131.1314
MdlNumber: MFCD18256079
Smiles: O=Cc1ccc(cn1)C#C
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AI62854
ChemicalName:
5-Ethynylpicolinaldehyde
CasNumber:
940911-03-5
MolecularFormula:
C8H5NO
MolecularWeight:
131.1314
MdlNumber:
MFCD18256079
Smiles:
O=Cc1ccc(cn1)C#C
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
0.9
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MolecularFormula: __
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Smiles: COc1ccc2c(c1)N(CCC12NC(=O)NC1=O)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc2c(c1)N(CCC12NC(=O)NC1=O)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: [N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1ccc(nc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1ccc(nc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__