AD69725
15471-17-7 | 3-(1-Pyridinio)-1-propanesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AD69725
ChemicalName
3-(1-Pyridinio)-1-propanesulfonate
CasNumber
15471-17-7
MolecularFormula
C8H11NO3S
MolecularWeight
201.24283999999997
MdlNumber
MFCD00064468
Smiles
[O-]S(=O)(=O)CCC[n+]1ccccc1
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
0.1
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CatalogNumber: AD69725
ChemicalName: 3-(1-Pyridinio)-1-propanesulfonate
CasNumber: 15471-17-7
MolecularFormula: C8H11NO3S
MolecularWeight: 201.24283999999997
MdlNumber: MFCD00064468
Smiles: [O-]S(=O)(=O)CCC[n+]1ccccc1
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AD69725
ChemicalName:
3-(1-Pyridinio)-1-propanesulfonate
CasNumber:
15471-17-7
MolecularFormula:
C8H11NO3S
MolecularWeight:
201.24283999999997
MdlNumber:
MFCD00064468
Smiles:
[O-]S(=O)(=O)CCC[n+]1ccccc1
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
0.1
CatalogNumber: AD69727
ChemicalName: (S)-2-(2-Bromophenyl)-4-t-butyl-4,5-dihydrooxazole
CasNumber: 154701-60-7
MolecularFormula: C13H16BrNO
MolecularWeight: 282.1762
MdlNumber: MFCD08234769
Smiles: Brc1ccccc1C1=N[C@H](CO1)C(C)(C)C
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AD69727
ChemicalName:
(S)-2-(2-Bromophenyl)-4-t-butyl-4,5-dihydrooxazole
CasNumber:
154701-60-7
MolecularFormula:
C13H16BrNO
MolecularWeight:
282.1762
MdlNumber:
MFCD08234769
Smiles:
Brc1ccccc1C1=N[C@H](CO1)C(C)(C)C
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.9
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Smiles: COC(=O)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
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Smiles:
COC(=O)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
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Smiles: COC(=O)[C@@](C(F)(F)F)(c1ccccc1)N
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)[C@@](C(F)(F)F)(c1ccccc1)N
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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