AI48839
3594-69-2 | 3,3-Dimethyl-2-oxo-cyclopentanecarbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI48839
ChemicalName
3,3-Dimethyl-2-oxo-cyclopentanecarbonitrile
CasNumber
3594-69-2
MolecularFormula
C8H11NO
MolecularWeight
137.17904
MdlNumber
MFCD00154841
Smiles
N#CC1CCC(C1=O)(C)C
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AI48839
ChemicalName: 3,3-Dimethyl-2-oxo-cyclopentanecarbonitrile
CasNumber: 3594-69-2
MolecularFormula: C8H11NO
MolecularWeight: 137.17904
MdlNumber: MFCD00154841
Smiles: N#CC1CCC(C1=O)(C)C
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AI48839
ChemicalName:
3,3-Dimethyl-2-oxo-cyclopentanecarbonitrile
CasNumber:
3594-69-2
MolecularFormula:
C8H11NO
MolecularWeight:
137.17904
MdlNumber:
MFCD00154841
Smiles:
N#CC1CCC(C1=O)(C)C
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: COc1ccccc1c1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
COc1ccccc1c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: CCOC(=O)[C@H]1CCC[C@@H]1N[C@H](c1ccccc1)C.Cl
Complexity: __
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HeavyAtomCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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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:
CCOC(=O)[C@H]1CCC[C@@H]1N[C@H](c1ccccc1)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)[C@H]1CCC[C@@H]1N[C@H](c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)[C@H]1CCC[C@@H]1N[C@H](c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__