AF70647
35166-41-7 | 2-(5-Methylisoxazol-3-yl)acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF70647
ChemicalName
2-(5-Methylisoxazol-3-yl)acetonitrile
CasNumber
35166-41-7
MolecularFormula
C6H6N2O
MolecularWeight
122.1246
MdlNumber
MFCD09909633
Smiles
Cc1cc(no1)CC#N
Complexity
137
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AF70647
ChemicalName: 2-(5-Methylisoxazol-3-yl)acetonitrile
CasNumber: 35166-41-7
MolecularFormula: C6H6N2O
MolecularWeight: 122.1246
MdlNumber: MFCD09909633
Smiles: Cc1cc(no1)CC#N
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AF70647
ChemicalName:
2-(5-Methylisoxazol-3-yl)acetonitrile
CasNumber:
35166-41-7
MolecularFormula:
C6H6N2O
MolecularWeight:
122.1246
MdlNumber:
MFCD09909633
Smiles:
Cc1cc(no1)CC#N
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: C1CCC(C1)PC1CCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
C1CCC(C1)PC1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: Cc1ccnc(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1ccnc(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)[C@H]1CCCC[C@@H]1C(=O)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)[C@H]1CCCC[C@@H]1C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__