Methyl 5-acetylsalicylate - CAS 16475-90-4
Catalog: |
BB012143 |
Product Name: |
Methyl 5-acetylsalicylate |
CAS: |
16475-90-4 |
Synonyms: |
methyl 5-acetyl-2-hydroxybenzoate |
IUPAC Name: | methyl 5-acetyl-2-hydroxybenzoate |
Description: | Methyl 5-acetylsalicylate (CAS# 16475-90-4) is a compound useful in organic synthesis. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)O)C(=O)OC |
InChI: | InChI=1S/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3 |
InChI Key: | XLSMGNNWSRNTIQ-UHFFFAOYSA-N |
Boiling Point: | 167 °C / 15 mmHg |
MDL: | MFCD00040924 |
LogP: | 1.38140 |
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-112592280-A | Preparation method of racemic salbutamol | 20201209 |
CN-111471523-A | Spice composition with oxidation resistance | 20200415 |
CN-113121369-A | Preparation method of salbutamol sulfate | 20191231 |
JP-2020115163-A | Electrophotographic photoreceptor, image forming apparatus and process cartridge | 20190117 |
US-2020233325-A1 | Electrophotographic photoconductor, image forming apparatus, and process cartridge | 20190117 |
PMID | Publication Date | Title | Journal |
21202877 | 20080607 | Methyl 5-(2-bromo-acet-yl)-2-propoxybenzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS