3-Ethyl-5-methylisoxazole-4-carboxylic acid - CAS 17147-85-2
Catalog: |
BB012750 |
Product Name: |
3-Ethyl-5-methylisoxazole-4-carboxylic acid |
CAS: |
17147-85-2 |
Synonyms: |
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid |
IUPAC Name: | 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid |
Description: | 3-Ethyl-5-methylisoxazole-4-carboxylic acid (CAS# 17147-85-2) is a useful research chemical. |
Molecular Weight: | 155.15 |
Molecular Formula: | C7H9NO3 |
Canonical SMILES: | CCC1=NOC(=C1C(=O)O)C |
InChI: | InChI=1S/C7H9NO3/c1-3-5-6(7(9)10)4(2)11-8-5/h3H2,1-2H3,(H,9,10) |
InChI Key: | RSWFHHWVFZWIMV-UHFFFAOYSA-N |
Boiling Point: | 293.9 °C at 760 mmHg |
MDL: | MFCD03422293 |
LogP: | 1.24360 |
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-110167944-A | Substituted pyrazolo azepine * -4- ketone and its purposes as phosphodiesterase inhibitors | 20161212 |
US-2017174688-A1 | Substituted Indoles | 20141218 |
US-2017349589-A9 | Substituted Indoles | 20141218 |
US-9932340-B2 | Substituted indoles | 20141218 |
EP-3187497-A1 | Heterocyclic compound | 20140826 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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