3,5-Dimethylisoxazole-4-carboxylic acid - CAS 2510-36-3
Catalog: |
BB018740 |
Product Name: |
3,5-Dimethylisoxazole-4-carboxylic acid |
CAS: |
2510-36-3 |
Synonyms: |
3,5-dimethyl-1,2-oxazole-4-carboxylic acid |
IUPAC Name: | 3,5-dimethyl-1,2-oxazole-4-carboxylic acid |
Description: | 3,5-Dimethylisoxazole-4-carboxylic acid (CAS# 2510-36-3) is a useful research chemical. |
Molecular Weight: | 141.12 |
Molecular Formula: | C6H7NO3 |
Canonical SMILES: | CC1=C(C(=NO1)C)C(=O)O |
InChI: | InChI=1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9) |
InChI Key: | IJEUISLJVBUNRE-UHFFFAOYSA-N |
Boiling Point: | 301.8 °C at 760 mmHg |
Melting Point: | 141-142 °C |
Purity: | 95 % |
Density: | 1.276 g/cm3 |
Appearance: | Light beige powder |
MDL: | MFCD00051657 |
LogP: | 0.98960 |
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-2021171455-A1 | Alpha-5 beta-1 inhibitors | 20191210 |
WO-2021119199-A1 | Alpha-5 beta-1 inhibitors | 20191210 |
CN-112824398-A | Immunomodulator | 20191120 |
WO-2021098844-A1 | Immunomodulator | 20191120 |
WO-2020132174-A1 | Dna polymerase iiic inhibitors and use thereof | 20181221 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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