Resorcinol monoacetate - CAS 102-29-4
Catalog: |
BB000827 |
Product Name: |
Resorcinol monoacetate |
CAS: |
102-29-4 |
Synonyms: |
(3-hydroxyphenyl) acetate |
Application: |
Resorcinol monoacetate, an analogue of Resorcinol,could be widely used as an active ingredient in many drug products for the treatment of skin disorders. |
IUPAC Name: | (3-hydroxyphenyl) acetate |
Description: | Resorcinol monoacetate, an analogue of Resorcinol,could be widely used as an active ingredient in many drug products for the treatment of skin disorders. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | CC(=O)OC1=CC=CC(=C1)O |
InChI: | InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3 |
InChI Key: | ZZPKZRHERLGEKA-UHFFFAOYSA-N |
Boiling Point: | 283 °C (lit.) |
Melting Point: | 129-133°C |
Flash Point: | >230 °F |
Purity: | > 98 % |
Density: | 1.223 g/mL at 25 °C (lit.) |
Solubility: | 1000 mg/mL in H2O, 111 mg/ml in DMSO |
Appearance: | Yellow to gold liquid |
Storage: | -20 °C Freeze |
MDL: | MFCD00002266 |
LogP: | 1.31750 |
Refractive Index: | n20/D 1.537(lit.) |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
20339589 | 20100322 | The complete multipartite genome sequence of Cupriavidus necator JMP134, a versatile pollutant degrader | PloS one |
20383916 | 20100304 | Classification of benzoyl peroxide as safe and effective and revision of labeling to drug facts format; topical acne drug products for over-the-counter human use; final rule | Federal register |
15866873 | 20050715 | A two-component hydroxylase involved in the assimilation of 3-hydroxyphenyl acetate in Pseudomonas putida | The Journal of biological chemistry |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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