AB73568
1540-29-0 | Ethyl 2-acetylhexanoate
Manufacturer: A2B Chem
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CatalogNumber
AB73568
ChemicalName
Ethyl 2-acetylhexanoate
CasNumber
1540-29-0
MolecularFormula
C10H18O3
MolecularWeight
186.2481
MdlNumber
MFCD00005637
Smiles
CCCCC(C(=O)OCC)C(=O)C
Complexity
175
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AB73568
ChemicalName: Ethyl 2-acetylhexanoate
CasNumber: 1540-29-0
MolecularFormula: C10H18O3
MolecularWeight: 186.2481
MdlNumber: MFCD00005637
Smiles: CCCCC(C(=O)OCC)C(=O)C
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AB73568
ChemicalName:
Ethyl 2-acetylhexanoate
CasNumber:
1540-29-0
MolecularFormula:
C10H18O3
MolecularWeight:
186.2481
MdlNumber:
MFCD00005637
Smiles:
CCCCC(C(=O)OCC)C(=O)C
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CC(=N)N.Cl
Complexity: 122
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CC(=N)N.Cl
Complexity:
122
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1=C(N)CCCC1
Complexity: 209
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1=C(N)CCCC1
Complexity:
209
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8