AD34099
121-58-4 | 4-(Dimethylamino)benzenesulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AD34099
ChemicalName
4-(Dimethylamino)benzenesulfonic acid
CasNumber
121-58-4
MolecularFormula
C8H11NO3S
MolecularWeight
201.24284
MdlNumber
MFCD20269870
Smiles
CN(c1ccc(cc1)S(=O)(=O)O)C
NscNumber
3540
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AD34099
ChemicalName: 4-(Dimethylamino)benzenesulfonic acid
CasNumber: 121-58-4
MolecularFormula: C8H11NO3S
MolecularWeight: 201.24284
MdlNumber: MFCD20269870
Smiles: CN(c1ccc(cc1)S(=O)(=O)O)C
NscNumber: 3540
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AD34099
ChemicalName:
4-(Dimethylamino)benzenesulfonic acid
CasNumber:
121-58-4
MolecularFormula:
C8H11NO3S
MolecularWeight:
201.24284
MdlNumber:
MFCD20269870
Smiles:
CN(c1ccc(cc1)S(=O)(=O)O)C
NscNumber:
3540
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCC[C@H](CC)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCC[C@H](CC)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)Sc1cc2c([nH]1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)Sc1cc2c([nH]1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD34110
ChemicalName: 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde
CasNumber: 1205-17-0
MolecularFormula: C11H12O3
MolecularWeight: 192.2112
MdlNumber: MFCD00067053
Smiles: O=CC(Cc1ccc2c(c1)OCO2)C
NscNumber: 22282
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AD34110
ChemicalName:
2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde
CasNumber:
1205-17-0
MolecularFormula:
C11H12O3
MolecularWeight:
192.2112
MdlNumber:
MFCD00067053
Smiles:
O=CC(Cc1ccc2c(c1)OCO2)C
NscNumber:
22282
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.2