AB44669
636-73-7 | 3-Pyridinesulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44669
ChemicalName
3-Pyridinesulfonic acid
CasNumber
636-73-7
MolecularFormula
C5H5NO3S
MolecularWeight
159.1631
MdlNumber
MFCD00006381
Smiles
OS(=O)(=O)c1cccnc1
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.4
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CatalogNumber: AB44669
ChemicalName: 3-Pyridinesulfonic acid
CasNumber: 636-73-7
MolecularFormula: C5H5NO3S
MolecularWeight: 159.1631
MdlNumber: MFCD00006381
Smiles: OS(=O)(=O)c1cccnc1
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.4
CatalogNumber:
AB44669
ChemicalName:
3-Pyridinesulfonic acid
CasNumber:
636-73-7
MolecularFormula:
C5H5NO3S
MolecularWeight:
159.1631
MdlNumber:
MFCD00006381
Smiles:
OS(=O)(=O)c1cccnc1
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.4
CatalogNumber: AB44670
ChemicalName: 3-Pyridylacetic acid, HCl
CasNumber: 6419-36-9
MolecularFormula: C7H8ClNO2
MolecularWeight: 173.5969
MdlNumber: MFCD00012819
Smiles: OC(=O)Cc1cccnc1.Cl
Complexity: 125
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB44670
ChemicalName:
3-Pyridylacetic acid, HCl
CasNumber:
6419-36-9
MolecularFormula:
C7H8ClNO2
MolecularWeight:
173.5969
MdlNumber:
MFCD00012819
Smiles:
OC(=O)Cc1cccnc1.Cl
Complexity:
125
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB44671
ChemicalName: Pyrrolidin-3-ol
CasNumber: 40499-83-0
MolecularFormula: C4H9NO
MolecularWeight: 87.1204
MdlNumber: MFCD00005256
Smiles: OC1CNCC1
Complexity: 46.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: -0.7
CatalogNumber:
AB44671
ChemicalName:
Pyrrolidin-3-ol
CasNumber:
40499-83-0
MolecularFormula:
C4H9NO
MolecularWeight:
87.1204
MdlNumber:
MFCD00005256
Smiles:
OC1CNCC1
Complexity:
46.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
-0.7
CatalogNumber: AB44672
ChemicalName: 3-Pyrroline
CasNumber: 109-96-6
MolecularFormula: C4H7N
MolecularWeight: 69.1051
MdlNumber: MFCD00005213
Smiles: N1CC=CC1
Complexity: 41.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 5
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB44672
ChemicalName:
3-Pyrroline
CasNumber:
109-96-6
MolecularFormula:
C4H7N
MolecularWeight:
69.1051
MdlNumber:
MFCD00005213
Smiles:
N1CC=CC1
Complexity:
41.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
5
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
__