AB73444
27835-00-3 | Ethyl 3-(4-methylphenyl)-3-oxopropanoate
Manufacturer: A2B Chem
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CatalogNumber
AB73444
ChemicalName
Ethyl 3-(4-methylphenyl)-3-oxopropanoate
CasNumber
27835-00-3
MolecularFormula
C12H14O3
MolecularWeight
206.23775999999995
MdlNumber
MFCD08060997
Smiles
CCOC(=O)CC(=O)c1ccc(cc1)C
NscNumber
158544
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
2.2
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CatalogNumber: AB73444
ChemicalName: Ethyl 3-(4-methylphenyl)-3-oxopropanoate
CasNumber: 27835-00-3
MolecularFormula: C12H14O3
MolecularWeight: 206.23775999999995
MdlNumber: MFCD08060997
Smiles: CCOC(=O)CC(=O)c1ccc(cc1)C
NscNumber: 158544
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.2
CatalogNumber:
AB73444
ChemicalName:
Ethyl 3-(4-methylphenyl)-3-oxopropanoate
CasNumber:
27835-00-3
MolecularFormula:
C12H14O3
MolecularWeight:
206.23775999999995
MdlNumber:
MFCD08060997
Smiles:
CCOC(=O)CC(=O)c1ccc(cc1)C
NscNumber:
158544
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.2
CatalogNumber: AB73445
ChemicalName: 3-Oxo-3-(4-trifluoromethylphenyl)propionic acid ethyl ester
CasNumber: 106263-53-0
MolecularFormula: C12H11F3O3
MolecularWeight: 260.20914959999993
MdlNumber: MFCD03424818
Smiles: CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
NscNumber: __
Complexity: 304
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 2.8
CatalogNumber:
AB73445
ChemicalName:
3-Oxo-3-(4-trifluoromethylphenyl)propionic acid ethyl ester
CasNumber:
106263-53-0
MolecularFormula:
C12H11F3O3
MolecularWeight:
260.20914959999993
MdlNumber:
MFCD03424818
Smiles:
CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
NscNumber:
__
Complexity:
304
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCO/C(=C(/C(=O)OCC)C#N)/C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCO/C(=C(/C(=O)OCC)C#N)/C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB73447
ChemicalName: Ethyl (phenylthio)acetate
CasNumber: 7605-25-6
MolecularFormula: C10H12O2S
MolecularWeight: 196.2661
MdlNumber: MFCD00145107
Smiles: CCOC(=O)CSc1ccccc1
NscNumber: __
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AB73447
ChemicalName:
Ethyl (phenylthio)acetate
CasNumber:
7605-25-6
MolecularFormula:
C10H12O2S
MolecularWeight:
196.2661
MdlNumber:
MFCD00145107
Smiles:
CCOC(=O)CSc1ccccc1
NscNumber:
__
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.6