5-Methylisoxazole-3-acetic Acid - CAS 57612-87-0
Catalog: |
BB029762 |
Product Name: |
5-Methylisoxazole-3-acetic Acid |
CAS: |
57612-87-0 |
Synonyms: |
2-(5-methyl-3-isoxazolyl)acetic acid; 2-(5-methyl-1,2-oxazol-3-yl)acetic acid |
IUPAC Name: | 2-(5-methyl-1,2-oxazol-3-yl)acetic acid |
Description: | 5-Methylisoxazole-3-acetic Acid (CAS# 57612-87-0) is a useful research chemical. |
Molecular Weight: | 141.12 |
Molecular Formula: | C6H7NO3 |
Canonical SMILES: | CC1=CC(=NO1)CC(=O)O |
InChI: | InChI=1S/C6H7NO3/c1-4-2-5(7-10-4)3-6(8)9/h2H,3H2,1H3,(H,8,9) |
InChI Key: | UNFVEYMEZRVVOB-UHFFFAOYSA-N |
MDL: | MFCD10036163 |
LogP: | 0.61010 |
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-2021132524-A1 | Epoxy azepan derivative | 20191225 |
WO-2021065898-A1 | Azepan derivative | 20190930 |
US-2020247784-A1 | Cdk2 inhibitors | 20190131 |
WO-2020157652-A2 | Cdk2 inhibitors | 20190131 |
TW-202043214-A | Cdk2 inhibitors | 20190131 |
Complexity: | 137 |
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: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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