AA87640
161659-80-9 | (S)-1-Benzyl-pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA87640
ChemicalName
(S)-1-Benzyl-pyrrolidine-3-carboxylic acid
CasNumber
161659-80-9
MolecularFormula
C12H15NO2
MolecularWeight
205.253
MdlNumber
MFCD04115301
Smiles
OC(=O)[C@H]1CCN(C1)Cc1ccccc1
Complexity
224
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.9
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CatalogNumber: AA87640
ChemicalName: (S)-1-Benzyl-pyrrolidine-3-carboxylic acid
CasNumber: 161659-80-9
MolecularFormula: C12H15NO2
MolecularWeight: 205.253
MdlNumber: MFCD04115301
Smiles: OC(=O)[C@H]1CCN(C1)Cc1ccccc1
Complexity: 224
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.9
CatalogNumber:
AA87640
ChemicalName:
(S)-1-Benzyl-pyrrolidine-3-carboxylic acid
CasNumber:
161659-80-9
MolecularFormula:
C12H15NO2
MolecularWeight:
205.253
MdlNumber:
MFCD04115301
Smiles:
OC(=O)[C@H]1CCN(C1)Cc1ccccc1
Complexity:
224
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.9
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MolecularFormula: __
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Smiles: ON=Cc1c(Cl)ccc(c1OC)Cl
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondDonorCount: __
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Smiles:
ON=Cc1c(Cl)ccc(c1OC)Cl
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: NCc1ccc(cn1)C.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCc1ccc(cn1)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: CCCCCCCCCCCCCCCCCCP(=O)(OCC)OCC
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCCCCCCCCCCCP(=O)(OCC)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__