AB56051
22161-81-5 | (2S)-2-(3-benzoylphenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB56051
ChemicalName
(2S)-2-(3-benzoylphenyl)propanoic acid
CasNumber
22161-81-5
MolecularFormula
C16H14O3
MolecularWeight
254.2806
MdlNumber
MFCD00673316
Smiles
OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C
Complexity
331
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AB56051
ChemicalName: (2S)-2-(3-benzoylphenyl)propanoic acid
CasNumber: 22161-81-5
MolecularFormula: C16H14O3
MolecularWeight: 254.2806
MdlNumber: MFCD00673316
Smiles: OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C
Complexity: 331
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AB56051
ChemicalName:
(2S)-2-(3-benzoylphenyl)propanoic acid
CasNumber:
22161-81-5
MolecularFormula:
C16H14O3
MolecularWeight:
254.2806
MdlNumber:
MFCD00673316
Smiles:
OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C
Complexity:
331
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: __
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Smiles: O[C@@H]([C@@H](C(=O)O)O)C(=O)O.Fc1cccc(c1)[C@@H]1CCCN1
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O[C@@H]([C@@H](C(=O)O)O)C(=O)O.Fc1cccc(c1)[C@@H]1CCCN1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
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Smiles: OC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([C@H]1COC(=N1)c1ccc2c(n1)cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C@H]1COC(=N1)c1ccc2c(n1)cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__