AB50684
80896-73-7 | Trans-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50684
ChemicalName
Trans-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CasNumber
80896-73-7
MolecularFormula
C18H19NO2
MolecularWeight
281.349
MdlNumber
MFCD11845475
Smiles
OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1ccccc1
Complexity
345
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.5
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CatalogNumber: AB50684
ChemicalName: Trans-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CasNumber: 80896-73-7
MolecularFormula: C18H19NO2
MolecularWeight: 281.349
MdlNumber: MFCD11845475
Smiles: OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1ccccc1
Complexity: 345
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.5
CatalogNumber:
AB50684
ChemicalName:
Trans-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CasNumber:
80896-73-7
MolecularFormula:
C18H19NO2
MolecularWeight:
281.349
MdlNumber:
MFCD11845475
Smiles:
OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1ccccc1
Complexity:
345
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.5
CatalogNumber: AB50685
ChemicalName: 2-Chloro-4-fluoro-3-methylbenzonitrile
CasNumber: 796600-15-2
MolecularFormula: C8H5ClFN
MolecularWeight: 169.5834
MdlNumber: MFCD13193544
Smiles: N#Cc1ccc(c(c1Cl)C)F
Complexity: 186
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AB50685
ChemicalName:
2-Chloro-4-fluoro-3-methylbenzonitrile
CasNumber:
796600-15-2
MolecularFormula:
C8H5ClFN
MolecularWeight:
169.5834
MdlNumber:
MFCD13193544
Smiles:
N#Cc1ccc(c(c1Cl)C)F
Complexity:
186
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AB50686
ChemicalName: 4-Hydroxy-2,5-dimethylhexan-3-one
CasNumber: 815-77-0
MolecularFormula: C8H16O2
MolecularWeight: 144.2114
MdlNumber: MFCD00008920
Smiles: CC(C(=O)C(C(C)C)O)C
Complexity: 116
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB50686
ChemicalName:
4-Hydroxy-2,5-dimethylhexan-3-one
CasNumber:
815-77-0
MolecularFormula:
C8H16O2
MolecularWeight:
144.2114
MdlNumber:
MFCD00008920
Smiles:
CC(C(=O)C(C(C)C)O)C
Complexity:
116
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)O.OCC[N+](C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)O.OCC[N+](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__