3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid - CAS 874815-89-1
Catalog: |
BB038487 |
Product Name: |
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid |
CAS: |
874815-89-1 |
Synonyms: |
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid; 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid |
IUPAC Name: | 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid |
Description: | 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid (CAS# 874815-89-1) is a useful research chemical. |
Molecular Weight: | 198.222 |
Molecular Formula: | C9H14N2O3 |
Canonical SMILES: | CC(C)(C)C1=NOC(=N1)CCC(=O)O |
InChI: | InChI=1S/C9H14N2O3/c1-9(2,3)8-10-6(14-11-8)4-5-7(12)13/h4-5H2,1-3H3,(H,12,13) |
InChI Key: | VKXWNDWYGSUDQN-UHFFFAOYSA-N |
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 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.10044231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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