AD59398
21667-60-7 | 3-(3-Methoxy-phenyl)-3-oxo-propionitrile
Manufacturer: A2B Chem
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CatalogNumber
AD59398
ChemicalName
3-(3-Methoxy-phenyl)-3-oxo-propionitrile
CasNumber
21667-60-7
MolecularFormula
C10H9NO2
MolecularWeight
175.184
MdlNumber
MFCD01566517
Smiles
N#CCC(=O)c1cccc(c1)OC
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AD59398
ChemicalName: 3-(3-Methoxy-phenyl)-3-oxo-propionitrile
CasNumber: 21667-60-7
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD01566517
Smiles: N#CCC(=O)c1cccc(c1)OC
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AD59398
ChemicalName:
3-(3-Methoxy-phenyl)-3-oxo-propionitrile
CasNumber:
21667-60-7
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD01566517
Smiles:
N#CCC(=O)c1cccc(c1)OC
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.7
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Smiles: O[C@@H]1[C@@H](O)[C@H](Oc2ccc3c(c2)oc(=O)c(c3)C(=O)O)O[C@@H]([C@H]1O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O[C@@H]1[C@@H](O)[C@H](Oc2ccc3c(c2)oc(=O)c(c3)C(=O)O)O[C@@H]([C@H]1O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCCCCCCCCCCCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C
Complexity: __
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Smiles:
CCCCCCCCCCCCCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC(N=C=S)CCCCC
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(N=C=S)CCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__