AB75628
4670-56-8 | Methyl 4-methylsalicylate
Manufacturer: A2B Chem
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CatalogNumber
AB75628
ChemicalName
Methyl 4-methylsalicylate
CasNumber
4670-56-8
MolecularFormula
C9H10O3
MolecularWeight
166.1739
MdlNumber
MFCD00020130
Smiles
COC(=O)c1ccc(cc1O)C
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AB75628
ChemicalName: Methyl 4-methylsalicylate
CasNumber: 4670-56-8
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00020130
Smiles: COC(=O)c1ccc(cc1O)C
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB75628
ChemicalName:
Methyl 4-methylsalicylate
CasNumber:
4670-56-8
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00020130
Smiles:
COC(=O)c1ccc(cc1O)C
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AB75629
ChemicalName: Methyl 2-hydroxy-5-methylbenzoate
CasNumber: 22717-57-3
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00016485
Smiles: COC(=O)c1cc(C)ccc1O
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB75629
ChemicalName:
Methyl 2-hydroxy-5-methylbenzoate
CasNumber:
22717-57-3
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00016485
Smiles:
COC(=O)c1cc(C)ccc1O
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: AB75630
ChemicalName: Methyl 2-iodo-3-nitrobenzoate
CasNumber: 93415-79-3
MolecularFormula: C8H6INO4
MolecularWeight: 307.04201
MdlNumber: MFCD00114906
Smiles: COC(=O)c1cccc(c1I)N(=O)=O
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB75630
ChemicalName:
Methyl 2-iodo-3-nitrobenzoate
CasNumber:
93415-79-3
MolecularFormula:
C8H6INO4
MolecularWeight:
307.04201
MdlNumber:
MFCD00114906
Smiles:
COC(=O)c1cccc(c1I)N(=O)=O
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: AB75631
ChemicalName: Methyl 2-iodo-4,5-dimethoxybenzoate
CasNumber: 173043-61-3
MolecularFormula: C10H11IO4
MolecularWeight: 322.0964
MdlNumber: MFCD09800786
Smiles: COC(=O)c1cc(OC)c(cc1I)OC
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AB75631
ChemicalName:
Methyl 2-iodo-4,5-dimethoxybenzoate
CasNumber:
173043-61-3
MolecularFormula:
C10H11IO4
MolecularWeight:
322.0964
MdlNumber:
MFCD09800786
Smiles:
COC(=O)c1cc(OC)c(cc1I)OC
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.4