AH83532
861162-64-3 | 1-(4-Methoxybenzyl)pyrrole-2-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AH83532
ChemicalName
1-(4-Methoxybenzyl)pyrrole-2-carbaldehyde
CasNumber
861162-64-3
MolecularFormula
C13H13NO2
MolecularWeight
215.2478
MdlNumber
MFCD07396162
Smiles
COc1ccc(cc1)Cn1cccc1C=O
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
2
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CatalogNumber: AH83532
ChemicalName: 1-(4-Methoxybenzyl)pyrrole-2-carbaldehyde
CasNumber: 861162-64-3
MolecularFormula: C13H13NO2
MolecularWeight: 215.2478
MdlNumber: MFCD07396162
Smiles: COc1ccc(cc1)Cn1cccc1C=O
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AH83532
ChemicalName:
1-(4-Methoxybenzyl)pyrrole-2-carbaldehyde
CasNumber:
861162-64-3
MolecularFormula:
C13H13NO2
MolecularWeight:
215.2478
MdlNumber:
MFCD07396162
Smiles:
COc1ccc(cc1)Cn1cccc1C=O
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
2
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Smiles: O=Cc1cc(ccc1OC)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=Cc1cc(ccc1OC)c1ccccc1
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)Cc1nc2n(n1)c(=O)c(c([nH]2)C)C
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Smiles:
OC(=O)Cc1nc2n(n1)c(=O)c(c([nH]2)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: NCC(c1ccc(cc1)C)N1CCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCC(c1ccc(cc1)C)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__