AB47077
1694-31-1 | tert-Butyl acetoacetate
Manufacturer: A2B Chem
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CatalogNumber
AB47077
ChemicalName
tert-Butyl acetoacetate
CasNumber
1694-31-1
MolecularFormula
C8H14O3
MolecularWeight
158.195
MdlNumber
MFCD00008811
Smiles
CC(=O)CC(=O)OC(C)(C)C
NscNumber
42869
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
1
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CatalogNumber: AB47077
ChemicalName: tert-Butyl acetoacetate
CasNumber: 1694-31-1
MolecularFormula: C8H14O3
MolecularWeight: 158.195
MdlNumber: MFCD00008811
Smiles: CC(=O)CC(=O)OC(C)(C)C
NscNumber: 42869
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AB47077
ChemicalName:
tert-Butyl acetoacetate
CasNumber:
1694-31-1
MolecularFormula:
C8H14O3
MolecularWeight:
158.195
MdlNumber:
MFCD00008811
Smiles:
CC(=O)CC(=O)OC(C)(C)C
NscNumber:
42869
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Br)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Br)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)OC(C)(C)C
NscNumber: __
Complexity: 93.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
93.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: AB47080
ChemicalName: tert-Butyl cyanoacetate
CasNumber: 1116-98-9
MolecularFormula: C7H11NO2
MolecularWeight: 141.1677
MdlNumber: MFCD00001938
Smiles: N#CCC(=O)OC(C)(C)C
NscNumber: 1072
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AB47080
ChemicalName:
tert-Butyl cyanoacetate
CasNumber:
1116-98-9
MolecularFormula:
C7H11NO2
MolecularWeight:
141.1677
MdlNumber:
MFCD00001938
Smiles:
N#CCC(=O)OC(C)(C)C
NscNumber:
1072
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1