AB44111
6555-40-4 | 6-Methylsalicylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB44111
ChemicalName
6-Methylsalicylic acid ethyl ester
CasNumber
6555-40-4
MolecularFormula
C10H12O3
MolecularWeight
180.2005
MdlNumber
MFCD01194299
Smiles
CCOC(=O)c1c(C)cccc1O
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AB44111
ChemicalName: 6-Methylsalicylic acid ethyl ester
CasNumber: 6555-40-4
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD01194299
Smiles: CCOC(=O)c1c(C)cccc1O
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB44111
ChemicalName:
6-Methylsalicylic acid ethyl ester
CasNumber:
6555-40-4
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD01194299
Smiles:
CCOC(=O)c1c(C)cccc1O
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: AB44112
ChemicalName: 2'-Hydroxyacetophenone
CasNumber: 118-93-4
MolecularFormula: C8H8O2
MolecularWeight: 136.1479
MdlNumber: MFCD00002219
Smiles: CC(=O)c1ccccc1O
Complexity: 131
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB44112
ChemicalName:
2'-Hydroxyacetophenone
CasNumber:
118-93-4
MolecularFormula:
C8H8O2
MolecularWeight:
136.1479
MdlNumber:
MFCD00002219
Smiles:
CC(=O)c1ccccc1O
Complexity:
131
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: AB44113
ChemicalName: Ethyl salicylate
CasNumber: 118-61-6
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00002215
Smiles: CCOC(=O)c1ccccc1O
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AB44113
ChemicalName:
Ethyl salicylate
CasNumber:
118-61-6
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00002215
Smiles:
CCOC(=O)c1ccccc1O
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AB44114
ChemicalName: 2'-Hydroxychalcone
CasNumber: 1214-47-7
MolecularFormula: C15H12O2
MolecularWeight: 224.2546
MdlNumber: MFCD00016441
Smiles: O=C(c1ccccc1O)/C=C/c1ccccc1
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AB44114
ChemicalName:
2'-Hydroxychalcone
CasNumber:
1214-47-7
MolecularFormula:
C15H12O2
MolecularWeight:
224.2546
MdlNumber:
MFCD00016441
Smiles:
O=C(c1ccccc1O)/C=C/c1ccccc1
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.9