AH87061
90908-89-7 | 3-Oxo-3-(1h-pyrrol-2-yl)propanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AH87061
ChemicalName
3-Oxo-3-(1h-pyrrol-2-yl)propanenitrile
CasNumber
90908-89-7
MolecularFormula
C7H6N2O
MolecularWeight
134.1353
MdlNumber
MFCD07369265
Smiles
N#CCC(=O)c1ccc[nH]1
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AH87061
ChemicalName: 3-Oxo-3-(1h-pyrrol-2-yl)propanenitrile
CasNumber: 90908-89-7
MolecularFormula: C7H6N2O
MolecularWeight: 134.1353
MdlNumber: MFCD07369265
Smiles: N#CCC(=O)c1ccc[nH]1
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AH87061
ChemicalName:
3-Oxo-3-(1h-pyrrol-2-yl)propanenitrile
CasNumber:
90908-89-7
MolecularFormula:
C7H6N2O
MolecularWeight:
134.1353
MdlNumber:
MFCD07369265
Smiles:
N#CCC(=O)c1ccc[nH]1
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1cccc(c1)c1cn[nH]c1N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cccc(c1)c1cn[nH]c1N
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: c1csc(c1)C1NCCn2c1ccc2
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
c1csc(c1)C1NCCn2c1ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Ic1ccccc1OC1CCOCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Ic1ccccc1OC1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__