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2-Acetyl-5-methoxybenzoic acid (HCID 20163283)|Huagongshe
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Compound
2-Acetyl-5-methoxybenzoic acid
HCID
20163283
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
COc1ccc(C(C)=O)c(C(=O)O)c1
InChIKey
RORSYULHARMVQY-UHFFFAOYSA-N
Molecular formula
C10H10O4
Average molar mass
194.18 g/mol
Names & identifiers
Preferred name
2-Acetyl-5-methoxybenzoic acid
IUPAC
2-acetyl-5-methoxybenzoic acid
Names & synonyms
2-acetyl-5-methoxybenzoic acid
1378781-35-1
SCHEMBL4128750
RORSYULHARMVQY-UHFFFAOYSA-N
EN300-172102
Database identifiers
PubChem CID
20163283
Properties
Computed structural properties
XLogP
1.3
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
236
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
30016
As product
uspto-grants-2008_09
HRID
30017
As reactant
uspto-grants-2008_09
HRID
2329894
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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