AI36946
1522-34-5 | Ethyl 2-isobutylacetoacetate
Manufacturer: A2B Chem
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CatalogNumber
AI36946
ChemicalName
Ethyl 2-isobutylacetoacetate
CasNumber
1522-34-5
MolecularFormula
C10H18O3
MolecularWeight
186.2481
MdlNumber
MFCD00457371
Smiles
CCOC(=O)C(C(=O)C)CC(C)C
Complexity
185
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AI36946
ChemicalName: Ethyl 2-isobutylacetoacetate
CasNumber: 1522-34-5
MolecularFormula: C10H18O3
MolecularWeight: 186.2481
MdlNumber: MFCD00457371
Smiles: CCOC(=O)C(C(=O)C)CC(C)C
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AI36946
ChemicalName:
Ethyl 2-isobutylacetoacetate
CasNumber:
1522-34-5
MolecularFormula:
C10H18O3
MolecularWeight:
186.2481
MdlNumber:
MFCD00457371
Smiles:
CCOC(=O)C(C(=O)C)CC(C)C
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(CBr)(CBr)CBr
Complexity: 64.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(CBr)(CBr)CBr
Complexity:
64.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1cc(C)c2c(o1)cc(cc2)OS(=O)(=O)[O-].[K+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1cc(C)c2c(o1)cc(cc2)OS(=O)(=O)[O-].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(c1cccc(c1)O)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(c1cccc(c1)O)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__