AV18274
20491-91-2 | 2,4,5-Trimethoxyphenol
Manufacturer: A2B Chem
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CatalogNumber
AV18274
ChemicalName
2,4,5-Trimethoxyphenol
CasNumber
20491-91-2
MolecularFormula
C9H12O4
MolecularWeight
184.1892
MdlNumber
MFCD17015434
Smiles
COc1cc(OC)c(cc1OC)O
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AV18274
ChemicalName: 2,4,5-Trimethoxyphenol
CasNumber: 20491-91-2
MolecularFormula: C9H12O4
MolecularWeight: 184.1892
MdlNumber: MFCD17015434
Smiles: COc1cc(OC)c(cc1OC)O
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AV18274
ChemicalName:
2,4,5-Trimethoxyphenol
CasNumber:
20491-91-2
MolecularFormula:
C9H12O4
MolecularWeight:
184.1892
MdlNumber:
MFCD17015434
Smiles:
COc1cc(OC)c(cc1OC)O
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AV18276
ChemicalName: Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
CasNumber: 112101-60-7
MolecularFormula: C10H10O3S
MolecularWeight: 210.2496
MdlNumber: MFCD00137807
Smiles: COC(=O)C1CCc2c(C1=O)ccs2
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AV18276
ChemicalName:
Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
CasNumber:
112101-60-7
MolecularFormula:
C10H10O3S
MolecularWeight:
210.2496
MdlNumber:
MFCD00137807
Smiles:
COC(=O)C1CCc2c(C1=O)ccs2
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1OC)NS(=O)(=O)c1ccc(cc1)Br
Complexity: 417
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1OC)NS(=O)(=O)c1ccc(cc1)Br
Complexity:
417
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1Cl)C
Complexity: 390
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1Cl)C
Complexity:
390
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7