3-(1,3-benzoxazol-2-yl)propanoic acid - CAS 78757-00-3
Catalog: |
BB036238 |
Product Name: |
3-(1,3-benzoxazol-2-yl)propanoic acid |
CAS: |
78757-00-3 |
Synonyms: |
3-(1,3-benzoxazol-2-yl)propanoic acid; 3-(1,3-benzoxazol-2-yl)propanoic acid |
IUPAC Name: | 3-(1,3-benzoxazol-2-yl)propanoic acid |
Description: | 3-(1,3-benzoxazol-2-yl)propanoic acid (CAS# 78757-00-3) is a useful research chemical. |
Molecular Weight: | 191.186 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(O2)CCC(=O)O |
InChI: | InChI=1S/C10H9NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13) |
InChI Key: | FUPQHVOTDIAYLV-UHFFFAOYSA-N |
Boiling Point: | 362.8 °C at 760 mmHg |
MDL: | MFCD01925019 |
LogP: | 1.84500 |
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-2020116971-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
AU-2014368765-A1 | 3-(5-chloro-2-oxobenzo(d)oxazol-3(2H)-yl)propanoic acid derivatives as KMO inhibitors | 20131219 |
AU-2014368765-B2 | 3-(5-chloro-2-oxobenzo(d)oxazol-3(2H)-yl)propanoic acid derivatives as KMO inhibitors | 20131219 |
CA-2934567-A1 | 3-(5-chloro-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid derivatives as kmo inhibitors | 20131219 |
EP-3083574-A1 | 3-(5-chloro-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid derivatives as kmo inhibitors | 20131219 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Benzoxazole/Benzothiazole
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS