2-Methyloxazole-5-carboxylic Acid - CAS 1216012-87-1
Catalog: |
BB005219 |
Product Name: |
2-Methyloxazole-5-carboxylic Acid |
CAS: |
1216012-87-1 |
Synonyms: |
2-methyl-5-oxazolecarboxylic acid; 2-methyl-1,3-oxazole-5-carboxylic acid |
IUPAC Name: | 2-methyl-1,3-oxazole-5-carboxylic acid |
Description: | 2-Methyloxazole-5-carboxylic Acid (CAS# 1216012-87-1) is a useful research chemical compound. |
Molecular Weight: | 127.10 |
Molecular Formula: | C5H5NO3 |
Canonical SMILES: | CC1=NC=C(O1)C(=O)O |
InChI: | InChI=1S/C5H5NO3/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8) |
InChI Key: | MARKCZHBQSQUHU-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 0.68120 |
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-2021289794-A1 | Compositions and related methods for agriculture | 20180725 |
BR-112020026744-A2 | METHODS FOR TREATING HEPATIC FIBROSIS WITH THE USE OF CALPAINE INHIBITORS | 20180628 |
TW-202003472-A | Calpain modulators and therapeutic uses thereof | 20180328 |
TW-201940471-A | Myocardial ganglion inhibitor | 20180119 |
US-2019256504-A1 | Cardiac sarcomere inhibitors | 20180119 |
Complexity: | 125 |
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: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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