AB74935
13361-30-3 | Isopropyl 2-cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AB74935
ChemicalName
Isopropyl 2-cyanoacetate
CasNumber
13361-30-3
MolecularFormula
C6H9NO2
MolecularWeight
127.1412
MdlNumber
MFCD00019842
Smiles
CC(OC(=O)CC#N)C
NscNumber
1071
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AB74935
ChemicalName: Isopropyl 2-cyanoacetate
CasNumber: 13361-30-3
MolecularFormula: C6H9NO2
MolecularWeight: 127.1412
MdlNumber: MFCD00019842
Smiles: CC(OC(=O)CC#N)C
NscNumber: 1071
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AB74935
ChemicalName:
Isopropyl 2-cyanoacetate
CasNumber:
13361-30-3
MolecularFormula:
C6H9NO2
MolecularWeight:
127.1412
MdlNumber:
MFCD00019842
Smiles:
CC(OC(=O)CC#N)C
NscNumber:
1071
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: AB74936
ChemicalName: Isopropyl dimethylcarbamate
CasNumber: 38580-89-1
MolecularFormula: C6H13NO2
MolecularWeight: 131.1729
MdlNumber: MFCD22571543
Smiles: CC(OC(=O)N(C)C)C
NscNumber: 29663
Complexity: 99.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB74936
ChemicalName:
Isopropyl dimethylcarbamate
CasNumber:
38580-89-1
MolecularFormula:
C6H13NO2
MolecularWeight:
131.1729
MdlNumber:
MFCD22571543
Smiles:
CC(OC(=O)N(C)C)C
NscNumber:
29663
Complexity:
99.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=COC(C)C
NscNumber: __
Complexity: 40.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=COC(C)C
NscNumber:
__
Complexity:
40.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(=O)OC(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(=O)OC(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__