2-Cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic Acid - CAS 1267443-54-8
Catalog: |
BB073084 |
Product Name: |
2-Cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic Acid |
CAS: |
1267443-54-8 |
Synonyms: |
2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid; 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylicacid |
IUPAC Name: | 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=C(OC(=N1)C2CC2)C(=O)O |
InChI: | InChI=1S/C8H9NO3/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11) |
InChI Key: | VQAPIFVUWQERRL-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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