4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic Acid - CAS 95124-68-8
Catalog: |
BB041622 |
Product Name: |
4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic Acid |
CAS: |
95124-68-8 |
Synonyms: |
4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid; 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid |
IUPAC Name: | 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid |
Description: | 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic Acid (CAS# 95124-68-8) is a useful research chemical. |
Molecular Weight: | 204.18 |
Molecular Formula: | C10H8N2O3 |
Canonical SMILES: | CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-2-4-8(5-3-7)10(13)14/h2-5H,1H3,(H,13,14) |
InChI Key: | DTKAUYQBZSOHRJ-UHFFFAOYSA-N |
Boiling Point: | 405.1 °C at 760 mmHg |
Density: | 1.336 g/cm3 |
Storage: | Sealed in dry, Store in freezer, under -20 °C |
MDL: | MFCD06797475 |
LogP: | 1.74320 |
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 |
TW-201922728-A | Novel heterocyclic compounds | 20171010 |
US-2020299277-A1 | Piperazine derivatives as magl inhibitors | 20171010 |
US-10577361-B2 | Dopamine D3 receptor antagonists having a morpholine moiety | 20151013 |
US-2018297990-A1 | Dopamine d3 receptor antagonists having a morpholine moiety | 20151013 |
WO-2017064488-A1 | Dopamine d3 receptor antagonists having a morpholine moiety | 20151013 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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