2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carboxylic Acid - CAS 54903-16-1
Catalog: |
BB028851 |
Product Name: |
2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carboxylic Acid |
CAS: |
54903-16-1 |
Synonyms: |
2-oxo-3H-1,3-benzoxazole-6-carboxylic acid; 2-oxo-3H-1,3-benzoxazole-6-carboxylic acid |
IUPAC Name: | 2-oxo-3H-1,3-benzoxazole-6-carboxylic acid |
Description: | 2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carboxylic Acid (CAS# 54903-16-1) is a useful research chemical. |
Molecular Weight: | 179.13 |
Molecular Formula: | C8H5NO4 |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)OC(=O)N2 |
InChI: | InChI=1S/C8H5NO4/c10-7(11)4-1-2-5-6(3-4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11) |
InChI Key: | BZRKWTCIDCRBMY-UHFFFAOYSA-N |
Density: | 1.563 g/cm3 |
LogP: | 0.81930 |
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 |
WO-2021046183-A1 | Methods of treating epilepsy using the same | 20190905 |
EP-3782997-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
WO-2021032323-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
WO-2020181232-A1 | Heterocyclic compounds for medical treatment | 20190306 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.02185764 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.02185764 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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