AI52225
5446-02-6 | Methyl 4-methoxysalicylate
Manufacturer: A2B Chem
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CatalogNumber
AI52225
ChemicalName
Methyl 4-methoxysalicylate
CasNumber
5446-02-6
MolecularFormula
C9H10O4
MolecularWeight
182.17330000000004
MdlNumber
MFCD00008424
Smiles
COc1ccc(c(c1)O)C(=O)OC
NscNumber
17154
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AI52225
ChemicalName: Methyl 4-methoxysalicylate
CasNumber: 5446-02-6
MolecularFormula: C9H10O4
MolecularWeight: 182.17330000000004
MdlNumber: MFCD00008424
Smiles: COc1ccc(c(c1)O)C(=O)OC
NscNumber: 17154
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AI52225
ChemicalName:
Methyl 4-methoxysalicylate
CasNumber:
5446-02-6
MolecularFormula:
C9H10O4
MolecularWeight:
182.17330000000004
MdlNumber:
MFCD00008424
Smiles:
COc1ccc(c(c1)O)C(=O)OC
NscNumber:
17154
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cn1)[N+](=O)[O-]
NscNumber: __
Complexity: 145
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cn1)[N+](=O)[O-]
NscNumber:
__
Complexity:
145
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: AI52227
ChemicalName: 2-Chloro-4-iodonicotinic acid
CasNumber: 544671-78-5
MolecularFormula: C6H3ClINO2
MolecularWeight: 283.451
MdlNumber: MFCD05663520
Smiles: OC(=O)c1c(I)ccnc1Cl
NscNumber: __
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AI52227
ChemicalName:
2-Chloro-4-iodonicotinic acid
CasNumber:
544671-78-5
MolecularFormula:
C6H3ClINO2
MolecularWeight:
283.451
MdlNumber:
MFCD05663520
Smiles:
OC(=O)c1c(I)ccnc1Cl
NscNumber:
__
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1O[C@H]2[C@@H](C1)C=CC2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1O[C@H]2[C@@H](C1)C=CC2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__