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CAS 55860-35-0 manufacturers and suppliers on PharmaCompass

PharmaCompass
4-Acetyl-2-methylbenzoic acid
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

4-Acetyl-2-methylbenzoic acid

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 Weight 178.18 g/mol
Molecular Formula C10H10O3
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass178.062994177 g/mol
Monoisotopic Mass178.062994177 g/mol
Topological Polar Surface Area54.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
55860-35-0
Fluralaner
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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