Tropic acid - CAS 552-63-6
Catalog: |
BB028969 |
Product Name: |
Tropic acid |
CAS: |
552-63-6 |
Synonyms: |
Benzeneacetic acid, α-(hydroxymethyl)-; Benzeneacetic acid, α-(hydroxymethyl)-, (±)-; Tropic acid, (±)-; α-(Hydroxymethyl)benzeneacetic acid; (±)-2-Phenyl-3-hydroxypropionic acid; (±)-3-Hydroxy-2-phenylpropionic acid; (±)-Tropic acid; 2-Phenyl-3-hydroxypropanoic acid; 2-Phenyl-3-hydroxypropionic acid; 2-Phenylhydracrylic acid; 3-Hydroxy-2-phenylpropionic acid; DL-Tropic acid; dl-Tropic acid; NSC 20990; Ipratropium EP Impurity C |
Related CAS: | 529-64-6 (Deleted CAS) 28845-94-5 (Deleted CAS)
|
IUPAC Name: | 3-hydroxy-2-phenylpropanoic acid |
Description: | An impurity of N-Butylscopolammonium bromide. N-Butylscopolammonium bromide is a medication used to treat crampy abdominal pain, esophageal spasms, renal colic, and bladder spasms. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(CO)C(=O)O |
InChI: | InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) |
InChI Key: | JACRWUWPXAESPB-UHFFFAOYSA-N |
Boiling Point: | 322.5±30.0 °C at 760 mmHg |
Melting Point: | 118-120 °C |
Purity: | ≥95% |
Density: | 1.262±0.06 g/cm3 |
Solubility: | Soluble in DMSO, Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at -20 °C |
LogP: | 0.84710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113372207-A | Synthesis method of muscone intermediate 2-cyclopentadecanone | 20210423 |
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WO-2021206025-A1 | Film attaching set, film attaching liquid, and method for using film attaching set | 20200409 |
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PMID | Publication Date | Title | Journal |
22719509 | 20120601 | (S)-Alanine-(S)-2-phen-oxy-propionic acid (1/1) | Acta crystallographica. Section E, Structure reports online |
22467254 | 20120301 | Rapid resolution liquid chromatography for monitoring the quality of stockpiled atropine preparations for injection | Drug testing and analysis |
22219820 | 20111101 | Poly[(μ(2)-4,4'-bipyridine-κN:N')bis-(μ(2)-2-phen-oxy-propionato-κO:O')cobalt(II)] | Acta crystallographica. Section E, Structure reports online |
22058691 | 20111001 | Tetra-kis(μ(2)-2-phen-oxy-propionato)-κO,O':O';κO:O,O';κO:O'-bis-[(1,10-phenanthroline-κN,N')(2-phen-oxy-propionato-κO,O')lanthanum(III)] | Acta crystallographica. Section E, Structure reports online |
22058692 | 20111001 | Bis(μ(2)-2-phen-oxy-propionato-κO:O')bis-[(1,10-phenanthroline-κN,N')bis-(2-phen-oxy-propionato-κO,O')ytterbium(III)] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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