4-Isopropoxybenzoic acid - CAS 13205-46-4
Catalog: |
BB007530 |
Product Name: |
4-Isopropoxybenzoic acid |
CAS: |
13205-46-4 |
Synonyms: |
Benzoic acid, 4-(1-methylethoxy)-; 4-(1-Methylethoxy)benzoic acid; Benzoic acid, p-isopropoxy-; 4-(2-Propyloxy)benzoic acid; 4-(Isopropyloxy)benzoic acid; 4-[(Propan-2-yl)oxy]benzoic acid; NSC 16646; p-Isopropoxybenzoic acid |
IUPAC Name: | 4-propan-2-yloxybenzoic acid |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(C)OC1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12) |
InChI Key: | ZVERWTXKKWSSHH-UHFFFAOYSA-N |
Boiling Point: | 297.3±13.0°C at 760 mmHg |
Melting Point: | 161-167°C |
Purity: | ≥95% |
Density: | 1.130±0.06 g/cm3 |
Appearance: | White to Almost White Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00044318 |
LogP: | 2.17200 |
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 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
US-10730843-B1 | Quinoxalines useful as cytoprotective agents | 20190620 |
CN-111662227-A | O-aminopyridine alkyne compound and preparation method and application thereof | 20190306 |
WO-2020177603-A1 | O-aminopyridylalkyne compound and preparation method therefor and use thereof | 20190306 |
CN-113329750-A | Compounds for the treatment of arenavirus infections | 20181206 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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