2-(3-Isoxazolyl)acetic Acid - CAS 57612-86-9
Catalog: |
BB029761 |
Product Name: |
2-(3-Isoxazolyl)acetic Acid |
CAS: |
57612-86-9 |
Synonyms: |
2-(3-isoxazolyl)acetic acid; 2-(1,2-oxazol-3-yl)acetic acid |
IUPAC Name: | 2-(1,2-oxazol-3-yl)acetic acid |
Description: | 2-(3-Isoxazolyl)acetic Acid (CAS# 57612-86-9) is a useful research chemical. |
Molecular Weight: | 127.10 |
Molecular Formula: | C5H5NO3 |
Canonical SMILES: | C1=CON=C1CC(=O)O |
InChI: | InChI=1S/C5H5NO3/c7-5(8)3-4-1-2-9-6-4/h1-2H,3H2,(H,7,8) |
InChI Key: | QSMYAUJWSXKKDS-UHFFFAOYSA-N |
LogP: | 0.30170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020247784-A1 | Cdk2 inhibitors | 20190131 |
WO-2020157652-A2 | Cdk2 inhibitors | 20190131 |
TW-202043214-A | Cdk2 inhibitors | 20190131 |
CN-113330000-A | 3-carbonylamino-5-cyclopentyl-1 FI-pyrrole compound having inhibitory activity against CDK2 | 20190131 |
US-11014911-B2 | CDK2 inhibitors | 20190131 |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.026943022 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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