AB46129
99-77-4 | Ethyl 4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46129
ChemicalName
Ethyl 4-nitrobenzoate
CasNumber
99-77-4
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD00007351
Smiles
CCOC(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber
6763
Complexity
215
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AB46129
ChemicalName: Ethyl 4-nitrobenzoate
CasNumber: 99-77-4
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00007351
Smiles: CCOC(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber: 6763
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AB46129
ChemicalName:
Ethyl 4-nitrobenzoate
CasNumber:
99-77-4
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00007351
Smiles:
CCOC(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber:
6763
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: AB46130
ChemicalName: Potassium 3-ethoxy-3-oxopropanoate
CasNumber: 6148-64-7
MolecularFormula: C5H7KO4
MolecularWeight: 170.205
MdlNumber: MFCD00035603
Smiles: [O-]C(=O)CC(=O)OCC.[K+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB46130
ChemicalName:
Potassium 3-ethoxy-3-oxopropanoate
CasNumber:
6148-64-7
MolecularFormula:
C5H7KO4
MolecularWeight:
170.205
MdlNumber:
MFCD00035603
Smiles:
[O-]C(=O)CC(=O)OCC.[K+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C#C
NscNumber: __
Complexity: 107
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C#C
NscNumber:
__
Complexity:
107
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CC(=O)CC
NscNumber: __
Complexity: 129
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CC(=O)CC
NscNumber:
__
Complexity:
129
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7