Benzoic acid, 3-acetyl-4-hydroxy-


Chemical Name: Benzoic acid, 3-acetyl-4-hydroxy-
CAS Number: 16357-40-7
Product Number: AG001U8T(AGN-PC-0MO0IY)
Synonyms:
MDL No:
Molecular Formula: C9H8O4
Molecular Weight: 180.1574

Identification/Properties


Computed Properties
Molecular Weight:
180.159g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
180.042g/mol
Monoisotopic Mass:
180.042g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
224
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



3-Acetyl-4-hydroxybenzoic acid is a versatile compound commonly used in chemical synthesis processes. This compound serves as a key intermediate in the production of various pharmaceuticals, dyes, and fragrances. Its unique chemical structure allows it to participate in numerous reactions, making it a valuable tool for organic chemists. In particular, 3-Acetyl-4-hydroxybenzoic acid can be utilized in the synthesis of salicylic acid derivatives, which are essential building blocks in the pharmaceutical industry. Additionally, this compound can be employed in the preparation of UV-absorbing agents and antioxidants due to its aromatic properties and hydroxy-acetyl functional groups. Furthermore, 3-Acetyl-4-hydroxybenzoic acid plays a crucial role in the creation of complex organic molecules, demonstrating its significance in chemical synthesis applications.