AB74855
13361-31-4 | Isobutyl cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AB74855
ChemicalName
Isobutyl cyanoacetate
CasNumber
13361-31-4
MolecularFormula
C7H11NO2
MolecularWeight
141.1677
MdlNumber
MFCD00044320
Smiles
N#CCC(=O)OCC(C)C
Complexity
154
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
1.3
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CatalogNumber: AB74855
ChemicalName: Isobutyl cyanoacetate
CasNumber: 13361-31-4
MolecularFormula: C7H11NO2
MolecularWeight: 141.1677
MdlNumber: MFCD00044320
Smiles: N#CCC(=O)OCC(C)C
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AB74855
ChemicalName:
Isobutyl cyanoacetate
CasNumber:
13361-31-4
MolecularFormula:
C7H11NO2
MolecularWeight:
141.1677
MdlNumber:
MFCD00044320
Smiles:
N#CCC(=O)OCC(C)C
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(COC(=O)c1cc(O)c(c(c1)O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(COC(=O)c1cc(O)c(c(c1)O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC(=O)OCC(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC(=O)OCC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ICC(C)C
Complexity: 17.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ICC(C)C
Complexity:
17.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8