AA86754
16475-90-4 | Methyl 5-acetylsalicylate
Manufacturer: A2B Chem
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CatalogNumber
AA86754
ChemicalName
Methyl 5-acetylsalicylate
CasNumber
16475-90-4
MolecularFormula
C10H10O4
MolecularWeight
194.184
MdlNumber
MFCD00040924
Smiles
COC(=O)c1cc(ccc1O)C(=O)C
NscNumber
67867
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AA86754
ChemicalName: Methyl 5-acetylsalicylate
CasNumber: 16475-90-4
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD00040924
Smiles: COC(=O)c1cc(ccc1O)C(=O)C
NscNumber: 67867
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AA86754
ChemicalName:
Methyl 5-acetylsalicylate
CasNumber:
16475-90-4
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD00040924
Smiles:
COC(=O)c1cc(ccc1O)C(=O)C
NscNumber:
67867
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClS(=O)(=O)Oc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
ClS(=O)(=O)Oc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(C)(C)C)OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(C)(C)C)OC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: F[P-](F)(F)(F)(F)F.CN(C(=[O+]n1nnc2c(c1=O)cccc2)N(C)C)C
NscNumber: __
Complexity: 464
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
F[P-](F)(F)(F)(F)F.CN(C(=[O+]n1nnc2c(c1=O)cccc2)N(C)C)C
NscNumber:
__
Complexity:
464
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__