AB43442
71233-25-5 | 3-Oxo-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB43442
ChemicalName
3-Oxo-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
CasNumber
71233-25-5
MolecularFormula
C13H21NO5
MolecularWeight
271.3095
MdlNumber
MFCD09878815
Smiles
CCOC(=O)C1CCN(CC1=O)C(=O)OC(C)(C)C
Complexity
372
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AB43442
ChemicalName: 3-Oxo-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
CasNumber: 71233-25-5
MolecularFormula: C13H21NO5
MolecularWeight: 271.3095
MdlNumber: MFCD09878815
Smiles: CCOC(=O)C1CCN(CC1=O)C(=O)OC(C)(C)C
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AB43442
ChemicalName:
3-Oxo-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
CasNumber:
71233-25-5
MolecularFormula:
C13H21NO5
MolecularWeight:
271.3095
MdlNumber:
MFCD09878815
Smiles:
CCOC(=O)C1CCN(CC1=O)C(=O)OC(C)(C)C
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(N1CCNC1=O)(C)C
Complexity: 148
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(N1CCNC1=O)(C)C
Complexity:
148
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.3
CatalogNumber: AB43444
ChemicalName: Alpha-tetralone
CasNumber: 529-34-0
MolecularFormula: C10H10O
MolecularWeight: 146.1858
MdlNumber: MFCD00022054
Smiles: O=C1CCCc2c1cccc2
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2
CatalogNumber:
AB43444
ChemicalName:
Alpha-tetralone
CasNumber:
529-34-0
MolecularFormula:
C10H10O
MolecularWeight:
146.1858
MdlNumber:
MFCD00022054
Smiles:
O=C1CCCc2c1cccc2
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2
CatalogNumber: AB43445
ChemicalName: 1-Trityl-1H-imidazole-4-carboxaldehyde
CasNumber: 33016-47-6
MolecularFormula: C23H18N2O
MolecularWeight: 338.4018
MdlNumber: MFCD07409972
Smiles: O=Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 4.6
CatalogNumber:
AB43445
ChemicalName:
1-Trityl-1H-imidazole-4-carboxaldehyde
CasNumber:
33016-47-6
MolecularFormula:
C23H18N2O
MolecularWeight:
338.4018
MdlNumber:
MFCD07409972
Smiles:
O=Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.6