AF00926
193274-53-2 | Methyl 1-Boc-3-methyl-4-oxo-piperidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF00926
ChemicalName
Methyl 1-Boc-3-methyl-4-oxo-piperidine-3-carboxylate
CasNumber
193274-53-2
MolecularFormula
C13H21NO5
MolecularWeight
271.3095
MdlNumber
MFCD11506200
Smiles
COC(=O)C1(C)CN(CCC1=O)C(=O)OC(C)(C)C
Complexity
398
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AF00926
ChemicalName: Methyl 1-Boc-3-methyl-4-oxo-piperidine-3-carboxylate
CasNumber: 193274-53-2
MolecularFormula: C13H21NO5
MolecularWeight: 271.3095
MdlNumber: MFCD11506200
Smiles: COC(=O)C1(C)CN(CCC1=O)C(=O)OC(C)(C)C
Complexity: 398
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AF00926
ChemicalName:
Methyl 1-Boc-3-methyl-4-oxo-piperidine-3-carboxylate
CasNumber:
193274-53-2
MolecularFormula:
C13H21NO5
MolecularWeight:
271.3095
MdlNumber:
MFCD11506200
Smiles:
COC(=O)C1(C)CN(CCC1=O)C(=O)OC(C)(C)C
Complexity:
398
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AF00930
ChemicalName: (2-Bromo-3-methylphenyl)methanol
CasNumber: 168886-97-3
MolecularFormula: C8H9BrO
MolecularWeight: 201.0605
MdlNumber: MFCD16659614
Smiles: OCc1cccc(c1Br)C
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AF00930
ChemicalName:
(2-Bromo-3-methylphenyl)methanol
CasNumber:
168886-97-3
MolecularFormula:
C8H9BrO
MolecularWeight:
201.0605
MdlNumber:
MFCD16659614
Smiles:
OCc1cccc(c1Br)C
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccccc1OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccccc1OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__