AB46026
1099-45-2 | Ethyl (triphenylphosphoranylidene) acetate
Manufacturer: A2B Chem
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CatalogNumber
AB46026
ChemicalName
Ethyl (triphenylphosphoranylidene) acetate
CasNumber
1099-45-2
MolecularFormula
C22H21O2P
MolecularWeight
348.3747
MdlNumber
MFCD00009183
Smiles
CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
NscNumber
72406
Complexity
414
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
2
RotatableBondCount
6
Xlogp3
4.3
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CatalogNumber: AB46026
ChemicalName: Ethyl (triphenylphosphoranylidene) acetate
CasNumber: 1099-45-2
MolecularFormula: C22H21O2P
MolecularWeight: 348.3747
MdlNumber: MFCD00009183
Smiles: CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
NscNumber: 72406
Complexity: 414
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 2
RotatableBondCount: 6
Xlogp3: 4.3
CatalogNumber:
AB46026
ChemicalName:
Ethyl (triphenylphosphoranylidene) acetate
CasNumber:
1099-45-2
MolecularFormula:
C22H21O2P
MolecularWeight:
348.3747
MdlNumber:
MFCD00009183
Smiles:
CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
NscNumber:
72406
Complexity:
414
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
2
RotatableBondCount:
6
Xlogp3:
4.3
CatalogNumber: AB46027
ChemicalName: Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
CasNumber: 5744-40-1
MolecularFormula: C8H12N2O2
MolecularWeight: 168.1931
MdlNumber: MFCD00233452
Smiles: CCOC(=O)c1cc(nn1C)C
NscNumber: __
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB46027
ChemicalName:
Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
CasNumber:
5744-40-1
MolecularFormula:
C8H12N2O2
MolecularWeight:
168.1931
MdlNumber:
MFCD00233452
Smiles:
CCOC(=O)c1cc(nn1C)C
NscNumber:
__
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AB46028
ChemicalName: Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate, HCl
CasNumber: 52763-21-0
MolecularFormula: C15H20ClNO3
MolecularWeight: 297.7772
MdlNumber: MFCD00012792
Smiles: CCOC(=O)C1CCN(CC1=O)Cc1ccccc1.Cl
NscNumber: 117336
Complexity: 323
Covalently-bondedUnitCount: 2
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AB46028
ChemicalName:
Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate, HCl
CasNumber:
52763-21-0
MolecularFormula:
C15H20ClNO3
MolecularWeight:
297.7772
MdlNumber:
MFCD00012792
Smiles:
CCOC(=O)C1CCN(CC1=O)Cc1ccccc1.Cl
NscNumber:
117336
Complexity:
323
Covalently-bondedUnitCount:
2
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1CCCN(C1)Cc1ccccc1
NscNumber: __
Complexity: 261
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1CCCN(C1)Cc1ccccc1
NscNumber:
__
Complexity:
261
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5