AB47080
1116-98-9 | tert-Butyl cyanoacetate
Manufacturer: A2B Chem
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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
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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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([N+]#[C-])(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([N+]#[C-])(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C=NC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C=NC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47083
ChemicalName: H-Ala-OtBu HCl
CasNumber: 13404-22-3
MolecularFormula: C7H16ClNO2
MolecularWeight: 181.6604
MdlNumber: MFCD00035524
Smiles: O=C([C@@H](N)C)OC(C)(C)C.Cl
NscNumber: __
Complexity: 126
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB47083
ChemicalName:
H-Ala-OtBu HCl
CasNumber:
13404-22-3
MolecularFormula:
C7H16ClNO2
MolecularWeight:
181.6604
MdlNumber:
MFCD00035524
Smiles:
O=C([C@@H](N)C)OC(C)(C)C.Cl
NscNumber:
__
Complexity:
126
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
__