AG17925
55704-60-4 | Diethyl 4-oxocyclohexane-1,1-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG17925
ChemicalName
Diethyl 4-oxocyclohexane-1,1-dicarboxylate
CasNumber
55704-60-4
MolecularFormula
C12H18O5
MolecularWeight
242.26832000000007
MdlNumber
MFCD00177942
Smiles
CCOC(=O)C1(CCC(=O)CC1)C(=O)OCC
Complexity
291
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
6
Xlogp3
0.9
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CatalogNumber: AG17925
ChemicalName: Diethyl 4-oxocyclohexane-1,1-dicarboxylate
CasNumber: 55704-60-4
MolecularFormula: C12H18O5
MolecularWeight: 242.26832000000007
MdlNumber: MFCD00177942
Smiles: CCOC(=O)C1(CCC(=O)CC1)C(=O)OCC
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 0.9
CatalogNumber:
AG17925
ChemicalName:
Diethyl 4-oxocyclohexane-1,1-dicarboxylate
CasNumber:
55704-60-4
MolecularFormula:
C12H18O5
MolecularWeight:
242.26832000000007
MdlNumber:
MFCD00177942
Smiles:
CCOC(=O)C1(CCC(=O)CC1)C(=O)OCC
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
0.9
CatalogNumber: AG17926
ChemicalName: 6-Hydroxyl-2-tetralone
CasNumber: 52727-28-3
MolecularFormula: C10H10O2
MolecularWeight: 162.1852
MdlNumber: MFCD05663283
Smiles: O=C1CCc2c(C1)ccc(c2)O
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
AG17926
ChemicalName:
6-Hydroxyl-2-tetralone
CasNumber:
52727-28-3
MolecularFormula:
C10H10O2
MolecularWeight:
162.1852
MdlNumber:
MFCD05663283
Smiles:
O=C1CCc2c(C1)ccc(c2)O
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nc(cs1)C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc(cs1)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG17928
ChemicalName: 3-methoxy-5-(trifluoromethyl)benzoic acid
CasNumber: 53985-48-1
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD09025409
Smiles: COc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AG17928
ChemicalName:
3-methoxy-5-(trifluoromethyl)benzoic acid
CasNumber:
53985-48-1
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD09025409
Smiles:
COc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
2.3