AE09459
10488-87-6 | Ethyl 2-methyl-3-oxo-3-phenylpropanoate
Manufacturer: A2B Chem
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CatalogNumber
AE09459
ChemicalName
Ethyl 2-methyl-3-oxo-3-phenylpropanoate
CasNumber
10488-87-6
MolecularFormula
C12H14O3
MolecularWeight
206.23776000000004
MdlNumber
MFCD00026882
Smiles
CCOC(=O)C(C(=O)c1ccccc1)C
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.6
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CatalogNumber: AE09459
ChemicalName: Ethyl 2-methyl-3-oxo-3-phenylpropanoate
CasNumber: 10488-87-6
MolecularFormula: C12H14O3
MolecularWeight: 206.23776000000004
MdlNumber: MFCD00026882
Smiles: CCOC(=O)C(C(=O)c1ccccc1)C
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AE09459
ChemicalName:
Ethyl 2-methyl-3-oxo-3-phenylpropanoate
CasNumber:
10488-87-6
MolecularFormula:
C12H14O3
MolecularWeight:
206.23776000000004
MdlNumber:
MFCD00026882
Smiles:
CCOC(=O)C(C(=O)c1ccccc1)C
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.6
CatalogNumber: AE09460
ChemicalName: 3-Nitro-6-(trifluoromethyl)pyridin-2-ol
CasNumber: 117519-07-0
MolecularFormula: C6H3F3N2O3
MolecularWeight: 208.0948
MdlNumber: MFCD19981826
Smiles: [O-][N+](=O)c1ccc(nc1O)C(F)(F)F
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
AE09460
ChemicalName:
3-Nitro-6-(trifluoromethyl)pyridin-2-ol
CasNumber:
117519-07-0
MolecularFormula:
C6H3F3N2O3
MolecularWeight:
208.0948
MdlNumber:
MFCD19981826
Smiles:
[O-][N+](=O)c1ccc(nc1O)C(F)(F)F
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H](c1ccc(cc1)C#N)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H](c1ccc(cc1)C#N)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1cccc2c1CCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1cccc2c1CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__