AB74711
501-52-0 | 3-Phenylpropionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB74711
ChemicalName
3-Phenylpropionic acid
CasNumber
501-52-0
MolecularFormula
C9H10O2
MolecularWeight
150.1745
MdlNumber
MFCD00002771
Smiles
OC(=O)CCc1ccccc1
NscNumber
9272
Complexity
126
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AB74711
ChemicalName: 3-Phenylpropionic acid
CasNumber: 501-52-0
MolecularFormula: C9H10O2
MolecularWeight: 150.1745
MdlNumber: MFCD00002771
Smiles: OC(=O)CCc1ccccc1
NscNumber: 9272
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB74711
ChemicalName:
3-Phenylpropionic acid
CasNumber:
501-52-0
MolecularFormula:
C9H10O2
MolecularWeight:
150.1745
MdlNumber:
MFCD00002771
Smiles:
OC(=O)CCc1ccccc1
NscNumber:
9272
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
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Smiles: CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
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Smiles:
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
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Smiles: FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F
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Smiles:
FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F
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Smiles: [Cl-].[Cl-].[Cl-].[Cl-].[Ir+4].Cl.Cl.O
NscNumber: __
Complexity: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Cl-].[Cl-].[Cl-].[Cl-].[Ir+4].Cl.Cl.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__