AG25615
50390-49-3 | 2,2-Dimethyl-1-m-tolylpropan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AG25615
ChemicalName
2,2-Dimethyl-1-m-tolylpropan-1-one
CasNumber
50390-49-3
MolecularFormula
C12H16O
MolecularWeight
176.2548
MdlNumber
MFCD03841163
Smiles
Cc1cccc(c1)C(=O)C(C)(C)C
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AG25615
ChemicalName: 2,2-Dimethyl-1-m-tolylpropan-1-one
CasNumber: 50390-49-3
MolecularFormula: C12H16O
MolecularWeight: 176.2548
MdlNumber: MFCD03841163
Smiles: Cc1cccc(c1)C(=O)C(C)(C)C
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AG25615
ChemicalName:
2,2-Dimethyl-1-m-tolylpropan-1-one
CasNumber:
50390-49-3
MolecularFormula:
C12H16O
MolecularWeight:
176.2548
MdlNumber:
MFCD03841163
Smiles:
Cc1cccc(c1)C(=O)C(C)(C)C
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
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MolecularFormula: __
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Smiles: CCN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)CC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)CC.Cl
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=C)Cc1ccc(cc1)C(F)(F)F
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HydrogenBondAcceptorCount: __
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CasNumber:
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MolecularFormula:
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Smiles:
CC(=C)Cc1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C1NCC(C1)c1cccnc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1NCC(C1)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__