AB42577
3112-85-4 | Methyl phenyl sulfone
Manufacturer: A2B Chem
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CatalogNumber
AB42577
ChemicalName
Methyl phenyl sulfone
CasNumber
3112-85-4
MolecularFormula
C7H8O2S
MolecularWeight
156.20222000000004
MdlNumber
MFCD00014741
Smiles
CS(=O)(=O)c1ccccc1
NscNumber
41587
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB42577
ChemicalName: Methyl phenyl sulfone
CasNumber: 3112-85-4
MolecularFormula: C7H8O2S
MolecularWeight: 156.20222000000004
MdlNumber: MFCD00014741
Smiles: CS(=O)(=O)c1ccccc1
NscNumber: 41587
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB42577
ChemicalName:
Methyl phenyl sulfone
CasNumber:
3112-85-4
MolecularFormula:
C7H8O2S
MolecularWeight:
156.20222000000004
MdlNumber:
MFCD00014741
Smiles:
CS(=O)(=O)c1ccccc1
NscNumber:
41587
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)CC.[O-]C(=O)CC.[Cu+2]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)CC.[O-]C(=O)CC.[Cu+2]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB42583
ChemicalName: Mesitylglyoxylic acid
CasNumber: 3112-46-7
MolecularFormula: C11H12O3
MolecularWeight: 192.2112
MdlNumber: MFCD00151834
Smiles: Cc1cc(C)c(c(c1)C)C(=O)C(=O)O
NscNumber: __
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB42583
ChemicalName:
Mesitylglyoxylic acid
CasNumber:
3112-46-7
MolecularFormula:
C11H12O3
MolecularWeight:
192.2112
MdlNumber:
MFCD00151834
Smiles:
Cc1cc(C)c(c(c1)C)C(=O)C(=O)O
NscNumber:
__
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.4