AA72611
1447942-87-1 | Ethyl 6-oxospiro[2.5]octane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA72611
ChemicalName
Ethyl 6-oxospiro[2.5]octane-1-carboxylate
CasNumber
1447942-87-1
MolecularFormula
C11H16O3
MolecularWeight
196.24294000000006
MdlNumber
MFCD28135615
Smiles
CCOC(=O)C1CC21CCC(=O)CC2
Complexity
260
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AA72611
ChemicalName: Ethyl 6-oxospiro[2.5]octane-1-carboxylate
CasNumber: 1447942-87-1
MolecularFormula: C11H16O3
MolecularWeight: 196.24294000000006
MdlNumber: MFCD28135615
Smiles: CCOC(=O)C1CC21CCC(=O)CC2
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AA72611
ChemicalName:
Ethyl 6-oxospiro[2.5]octane-1-carboxylate
CasNumber:
1447942-87-1
MolecularFormula:
C11H16O3
MolecularWeight:
196.24294000000006
MdlNumber:
MFCD28135615
Smiles:
CCOC(=O)C1CC21CCC(=O)CC2
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)c1cc(F)cc(c1)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)c1cc(F)cc(c1)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA72614
ChemicalName: 4-Chloro-3,5-difluorobenzonitrile
CasNumber: 144797-57-9
MolecularFormula: C7H2ClF2N
MolecularWeight: 173.5473
MdlNumber: MFCD18415564
Smiles: N#Cc1cc(F)c(c(c1)F)Cl
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
AA72614
ChemicalName:
4-Chloro-3,5-difluorobenzonitrile
CasNumber:
144797-57-9
MolecularFormula:
C7H2ClF2N
MolecularWeight:
173.5473
MdlNumber:
MFCD18415564
Smiles:
N#Cc1cc(F)c(c(c1)F)Cl
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5