AG17293
4640-69-1 | 3,4-Dimethoxybenzoylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AG17293
ChemicalName
3,4-Dimethoxybenzoylacetonitrile
CasNumber
4640-69-1
MolecularFormula
C11H11NO3
MolecularWeight
205.2099
MdlNumber
MFCD02260783
Smiles
N#CCC(=O)c1ccc(c(c1)OC)OC
Complexity
268
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AG17293
ChemicalName: 3,4-Dimethoxybenzoylacetonitrile
CasNumber: 4640-69-1
MolecularFormula: C11H11NO3
MolecularWeight: 205.2099
MdlNumber: MFCD02260783
Smiles: N#CCC(=O)c1ccc(c(c1)OC)OC
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AG17293
ChemicalName:
3,4-Dimethoxybenzoylacetonitrile
CasNumber:
4640-69-1
MolecularFormula:
C11H11NO3
MolecularWeight:
205.2099
MdlNumber:
MFCD02260783
Smiles:
N#CCC(=O)c1ccc(c(c1)OC)OC
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.7
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Smiles: CCC(c1ccccc1)(C#N)CC
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCC(c1ccccc1)(C#N)CC
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: ClC1=C(CSc2c1cc(Cl)cc2)C=O
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
ClC1=C(CSc2c1cc(Cl)cc2)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc([nH]c1=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc([nH]c1=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__