AB29089
2612-02-4 | 5-Methoxysalicylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB29089
ChemicalName
5-Methoxysalicylic acid
CasNumber
2612-02-4
MolecularFormula
C8H8O4
MolecularWeight
168.14672000000002
MdlNumber
MFCD00002459
Smiles
COc1ccc(c(c1)C(=O)O)O
NscNumber
2579
Complexity
168
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB29089
ChemicalName: 5-Methoxysalicylic acid
CasNumber: 2612-02-4
MolecularFormula: C8H8O4
MolecularWeight: 168.14672000000002
MdlNumber: MFCD00002459
Smiles: COc1ccc(c(c1)C(=O)O)O
NscNumber: 2579
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB29089
ChemicalName:
5-Methoxysalicylic acid
CasNumber:
2612-02-4
MolecularFormula:
C8H8O4
MolecularWeight:
168.14672000000002
MdlNumber:
MFCD00002459
Smiles:
COc1ccc(c(c1)C(=O)O)O
NscNumber:
2579
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: C=CC(/C=C/C(O)(C)C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
C=CC(/C=C/C(O)(C)C)(C)C
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Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cc1cc(O)ccc1O)N
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)[C@H](Cc1cc(O)ccc1O)N
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Clc1ccc(c(c1)Cl)S(=O)(=O)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1)Cl)S(=O)(=O)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__