AA56575
138-52-3 | Salicin
Manufacturer: A2B Chem
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CatalogNumber
AA56575
ChemicalName
Salicin
CasNumber
138-52-3
MolecularFormula
C13H18O7
MolecularWeight
286.27781999999996
MdlNumber
MFCD00006590
Smiles
OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@@H]([C@H]([C@@H]1O)O)O
NscNumber
758201
Complexity
300
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
5
RotatableBondCount
4
Xlogp3
-1.2
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CatalogNumber: AA56575
ChemicalName: Salicin
CasNumber: 138-52-3
MolecularFormula: C13H18O7
MolecularWeight: 286.27781999999996
MdlNumber: MFCD00006590
Smiles: OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@@H]([C@H]([C@@H]1O)O)O
NscNumber: 758201
Complexity: 300
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 5
RotatableBondCount: 4
Xlogp3: -1.2
CatalogNumber:
AA56575
ChemicalName:
Salicin
CasNumber:
138-52-3
MolecularFormula:
C13H18O7
MolecularWeight:
286.27781999999996
MdlNumber:
MFCD00006590
Smiles:
OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@@H]([C@H]([C@@H]1O)O)O
NscNumber:
758201
Complexity:
300
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
5
RotatableBondCount:
4
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=N(=O)c1ccc(cc1)S(=O)(=O)O
NscNumber: __
Complexity: 279
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=N(=O)c1ccc(cc1)S(=O)(=O)O
NscNumber:
__
Complexity:
279
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: AA56578
ChemicalName: 4-Carboxybenzenesulfonamide
CasNumber: 138-41-0
MolecularFormula: C7H7NO4S
MolecularWeight: 201.1998
MdlNumber: MFCD00007938
Smiles: OC(=O)c1ccc(cc1)S(=O)(=O)N
NscNumber: __
Complexity: 284
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AA56578
ChemicalName:
4-Carboxybenzenesulfonamide
CasNumber:
138-41-0
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.1998
MdlNumber:
MFCD00007938
Smiles:
OC(=O)c1ccc(cc1)S(=O)(=O)N
NscNumber:
__
Complexity:
284
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc(cc1)S(=O)(=O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc(cc1)S(=O)(=O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__