AB51621
58012-34-3 | Ethyl 2-(4-oxocyclohexyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AB51621
ChemicalName
Ethyl 2-(4-oxocyclohexyl)acetate
CasNumber
58012-34-3
MolecularFormula
C10H16O3
MolecularWeight
184.2322
MdlNumber
MFCD11045783
Smiles
CCOC(=O)CC1CCC(=O)CC1
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
0.8
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CatalogNumber: AB51621
ChemicalName: Ethyl 2-(4-oxocyclohexyl)acetate
CasNumber: 58012-34-3
MolecularFormula: C10H16O3
MolecularWeight: 184.2322
MdlNumber: MFCD11045783
Smiles: CCOC(=O)CC1CCC(=O)CC1
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AB51621
ChemicalName:
Ethyl 2-(4-oxocyclohexyl)acetate
CasNumber:
58012-34-3
MolecularFormula:
C10H16O3
MolecularWeight:
184.2322
MdlNumber:
MFCD11045783
Smiles:
CCOC(=O)CC1CCC(=O)CC1
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
0.8
CatalogNumber: AB51622
ChemicalName: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
CasNumber: 3681-99-0
MolecularFormula: C21H20O9
MolecularWeight: 416.3781
MdlNumber: MFCD00063399
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O
Complexity: 659
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 9
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB51622
ChemicalName:
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
CasNumber:
3681-99-0
MolecularFormula:
C21H20O9
MolecularWeight:
416.3781
MdlNumber:
MFCD00063399
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O
Complexity:
659
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
9
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__