5-Isopropylisoxazole-3-carboxylic acid - CAS 89776-74-9
Catalog: |
BB039591 |
Product Name: |
5-Isopropylisoxazole-3-carboxylic acid |
CAS: |
89776-74-9 |
Synonyms: |
5-propan-2-yl-1,2-oxazole-3-carboxylic acid |
IUPAC Name: | 5-propan-2-yl-1,2-oxazole-3-carboxylic acid |
Description: | 5-Isopropylisoxazole-3-carboxylic acid (CAS# 89776-74-9) is a useful research chemical. |
Molecular Weight: | 155.15 |
Molecular Formula: | C7H9NO3 |
Canonical SMILES: | CC(C)C1=CC(=NO1)C(=O)O |
InChI: | InChI=1S/C7H9NO3/c1-4(2)6-3-5(7(9)10)8-11-6/h3-4H,1-2H3,(H,9,10) |
InChI Key: | AYWGKTMGWXRLRO-UHFFFAOYSA-N |
Boiling Point: | 298.2 °C at 760 mmHg |
Melting Point: | 69-73 °C |
Purity: | 95 % |
Density: | 1.211 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06738923 |
LogP: | 1.49620 |
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 |
US-2019330198-A1 | Compounds and uses thereof | 20180425 |
WO-2019209962-A1 | Compounds and uses thereof | 20180425 |
CN-112566636-A | Compound and use thereof | 20180425 |
EP-3784234-A1 | Compounds and uses thereof | 20180425 |
US-10919885-B2 | Compounds and uses thereof | 20180425 |
Complexity: | 158 |
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: | 1.4 |
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