AA02231
100390-48-5 | Phenyl-pyrrolidin-1-yl-acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA02231
ChemicalName
Phenyl-pyrrolidin-1-yl-acetic acid
CasNumber
100390-48-5
MolecularFormula
C12H15NO2
MolecularWeight
205.253
MdlNumber
MFCD00100664
Smiles
OC(=O)C(c1ccccc1)N1CCCC1
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.2
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CatalogNumber: AA02231
ChemicalName: Phenyl-pyrrolidin-1-yl-acetic acid
CasNumber: 100390-48-5
MolecularFormula: C12H15NO2
MolecularWeight: 205.253
MdlNumber: MFCD00100664
Smiles: OC(=O)C(c1ccccc1)N1CCCC1
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AA02231
ChemicalName:
Phenyl-pyrrolidin-1-yl-acetic acid
CasNumber:
100390-48-5
MolecularFormula:
C12H15NO2
MolecularWeight:
205.253
MdlNumber:
MFCD00100664
Smiles:
OC(=O)C(c1ccccc1)N1CCCC1
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC(=O)c1nc2ccccc2c(c1C(=O)OC)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COC(=O)c1nc2ccccc2c(c1C(=O)OC)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CCc1cccc(c1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CCc1cccc(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P=O.O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]P=O.O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__