AB52767
1082329-59-6 | 3-(5-Phenyl-1,2,4-oxadiazol-3-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52767
ChemicalName
3-(5-Phenyl-1,2,4-oxadiazol-3-yl)propanoic acid
CasNumber
1082329-59-6
MolecularFormula
C11H10N2O3
MolecularWeight
218.2087
MdlNumber
MFCD11584300
Smiles
OC(=O)CCc1noc(n1)c1ccccc1
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AB52767
ChemicalName: 3-(5-Phenyl-1,2,4-oxadiazol-3-yl)propanoic acid
CasNumber: 1082329-59-6
MolecularFormula: C11H10N2O3
MolecularWeight: 218.2087
MdlNumber: MFCD11584300
Smiles: OC(=O)CCc1noc(n1)c1ccccc1
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AB52767
ChemicalName:
3-(5-Phenyl-1,2,4-oxadiazol-3-yl)propanoic acid
CasNumber:
1082329-59-6
MolecularFormula:
C11H10N2O3
MolecularWeight:
218.2087
MdlNumber:
MFCD11584300
Smiles:
OC(=O)CCc1noc(n1)c1ccccc1
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1CC[C@H](NC1)C(=O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1CC[C@H](NC1)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1ccccc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1ccccc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52770
ChemicalName: 4-Methylpiperidin-2-one
CasNumber: 4720-64-3
MolecularFormula: C6H11NO
MolecularWeight: 113.1576
MdlNumber: MFCD13178698
Smiles: CC1CCNC(=O)C1
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
AB52770
ChemicalName:
4-Methylpiperidin-2-one
CasNumber:
4720-64-3
MolecularFormula:
C6H11NO
MolecularWeight:
113.1576
MdlNumber:
MFCD13178698
Smiles:
CC1CCNC(=O)C1
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.4