CAS 55860-35-0

Chemistry, 2 End Use API, 6 Related Intermediates

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Also known as: 55860-35-0, Schembl2012610, 4-acetyl-2-methyl-benzoic acid, Zinc71611028, Db-087369, Cs-0112809

Molecular Formula

C₁₀H₁₀O₃

Molecular Weight

178.18 g/mol

InChI Key

QGXDUDDPMXVLOO-UHFFFAOYSA-N

1 2D Structure

CAS 55860-35-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-acetyl-2-methylbenzoic acid

2.1.2 InChI

InChI=1S/C10H10O3/c1-6-5-8(7(2)11)3-4-9(6)10(12)13/h3-5H,1-2H3,(H,12,13)

2.1.3 InChI Key

QGXDUDDPMXVLOO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)C(=O)C)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 55860-35-0

2. Schembl2012610

3. 4-acetyl-2-methyl-benzoic Acid

4. Zinc71611028

5. Db-087369

6. Cs-0112809

7. F53493

8. A1-08799

2.3 Create Date

2011-10-30

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀O₃
Molecular Weight	178.18 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	178.062994177 g/mol
Monoisotopic Mass	178.062994177 g/mol
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222
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

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CAS Number

55860-35-0

End Use API

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.

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4-acetyl-2-methylbenzoic acid

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CAS Number

55860-35-0

End Use API

Fluralaner

About the Company

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

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