AF77619
26454-79-5 | 2-(2-Oxo-2-(4-methoxyphenyl)ethyl)malononitrile
Manufacturer: A2B Chem
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CatalogNumber
AF77619
ChemicalName
2-(2-Oxo-2-(4-methoxyphenyl)ethyl)malononitrile
CasNumber
26454-79-5
MolecularFormula
C12H10N2O2
MolecularWeight
214.22
MdlNumber
MFCD09835069
Smiles
COc1ccc(cc1)C(=O)CC(C#N)C#N
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AF77619
ChemicalName: 2-(2-Oxo-2-(4-methoxyphenyl)ethyl)malononitrile
CasNumber: 26454-79-5
MolecularFormula: C12H10N2O2
MolecularWeight: 214.22
MdlNumber: MFCD09835069
Smiles: COc1ccc(cc1)C(=O)CC(C#N)C#N
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AF77619
ChemicalName:
2-(2-Oxo-2-(4-methoxyphenyl)ethyl)malononitrile
CasNumber:
26454-79-5
MolecularFormula:
C12H10N2O2
MolecularWeight:
214.22
MdlNumber:
MFCD09835069
Smiles:
COc1ccc(cc1)C(=O)CC(C#N)C#N
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: AF77620
ChemicalName: 2-(2-Oxo-2-p-tolylethyl)malononitrile
CasNumber: 26454-80-8
MolecularFormula: C12H10N2O
MolecularWeight: 198.2206
MdlNumber: MFCD00477088
Smiles: N#CC(CC(=O)c1ccc(cc1)C)C#N
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AF77620
ChemicalName:
2-(2-Oxo-2-p-tolylethyl)malononitrile
CasNumber:
26454-80-8
MolecularFormula:
C12H10N2O
MolecularWeight:
198.2206
MdlNumber:
MFCD00477088
Smiles:
N#CC(CC(=O)c1ccc(cc1)C)C#N
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.6
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Smiles: O=C1CC2CN(C(C1)C2)C
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O=C1CC2CN(C(C1)C2)C
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Smiles: COC(=O)/C(=C/Br)/Br
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Smiles:
COC(=O)/C(=C/Br)/Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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