AB44667
82322-93-8 | 3-Propylcyclopentanone
Manufacturer: A2B Chem
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CatalogNumber
AB44667
ChemicalName
3-Propylcyclopentanone
CasNumber
82322-93-8
MolecularFormula
C8H14O
MolecularWeight
126.1962
MdlNumber
MFCD31540419
Smiles
CCCC1CCC(=O)C1
Complexity
107
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AB44667
ChemicalName: 3-Propylcyclopentanone
CasNumber: 82322-93-8
MolecularFormula: C8H14O
MolecularWeight: 126.1962
MdlNumber: MFCD31540419
Smiles: CCCC1CCC(=O)C1
Complexity: 107
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AB44667
ChemicalName:
3-Propylcyclopentanone
CasNumber:
82322-93-8
MolecularFormula:
C8H14O
MolecularWeight:
126.1962
MdlNumber:
MFCD31540419
Smiles:
CCCC1CCC(=O)C1
Complexity:
107
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cccnc1
Complexity: 82.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cccnc1
Complexity:
82.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.3
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
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
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
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
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
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
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
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__