AD44447
35276-81-4 | 3-(2-Methylphenyl)-3-oxopropanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AD44447
ChemicalName
3-(2-Methylphenyl)-3-oxopropanenitrile
CasNumber
35276-81-4
MolecularFormula
C10H9NO
MolecularWeight
159.1846
MdlNumber
MFCD02260802
Smiles
N#CCC(=O)c1ccccc1C
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AD44447
ChemicalName: 3-(2-Methylphenyl)-3-oxopropanenitrile
CasNumber: 35276-81-4
MolecularFormula: C10H9NO
MolecularWeight: 159.1846
MdlNumber: MFCD02260802
Smiles: N#CCC(=O)c1ccccc1C
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AD44447
ChemicalName:
3-(2-Methylphenyl)-3-oxopropanenitrile
CasNumber:
35276-81-4
MolecularFormula:
C10H9NO
MolecularWeight:
159.1846
MdlNumber:
MFCD02260802
Smiles:
N#CCC(=O)c1ccccc1C
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
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Smiles: CCC(=S)Nc1ccc(cc1)Cl
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HydrogenBondAcceptorCount: __
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Smiles:
CCC(=S)Nc1ccc(cc1)Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)C=C(C(=O)OCC)N
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Smiles:
CCOC(=O)C=C(C(=O)OCC)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1ccc(cc1/C=C1/SC(=NC1=O)S)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1/C=C1/SC(=NC1=O)S)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__