AV18496
67127-64-4 | 2-Hydroxy-3-(methylthio)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18496
ChemicalName
2-Hydroxy-3-(methylthio)benzoic acid
CasNumber
67127-64-4
MolecularFormula
C8H8O3S
MolecularWeight
184.2123
MdlNumber
MFCD16999038
Smiles
CSc1cccc(c1O)C(=O)O
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AV18496
ChemicalName: 2-Hydroxy-3-(methylthio)benzoic acid
CasNumber: 67127-64-4
MolecularFormula: C8H8O3S
MolecularWeight: 184.2123
MdlNumber: MFCD16999038
Smiles: CSc1cccc(c1O)C(=O)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AV18496
ChemicalName:
2-Hydroxy-3-(methylthio)benzoic acid
CasNumber:
67127-64-4
MolecularFormula:
C8H8O3S
MolecularWeight:
184.2123
MdlNumber:
MFCD16999038
Smiles:
CSc1cccc(c1O)C(=O)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AV18497
ChemicalName: (E)-Chroman-4-one oxime
CasNumber: 535935-39-8
MolecularFormula: C9H9NO2
MolecularWeight: 163.1733
MdlNumber: MFCD00463254
Smiles: O/N=C/1CCOc2c1cccc2
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AV18497
ChemicalName:
(E)-Chroman-4-one oxime
CasNumber:
535935-39-8
MolecularFormula:
C9H9NO2
MolecularWeight:
163.1733
MdlNumber:
MFCD00463254
Smiles:
O/N=C/1CCOc2c1cccc2
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2n(c1)c(Br)c(n2)C
Complexity: 178
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2n(c1)c(Br)c(n2)C
Complexity:
178
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(/C=C/[N+](=O)[O-])cc(c1)OC
Complexity: 224
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(/C=C/[N+](=O)[O-])cc(c1)OC
Complexity:
224
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1