3-(3-Chloroisoxazol-5-yl)propanoic acid - CAS 80403-82-3
Catalog: |
BB036497 |
Product Name: |
3-(3-Chloroisoxazol-5-yl)propanoic acid |
CAS: |
80403-82-3 |
Synonyms: |
3-(3-chloro-1,2-oxazol-5-yl)propanoic acid |
IUPAC Name: | 3-(3-chloro-1,2-oxazol-5-yl)propanoic acid |
Description: | 3-(3-Chloroisoxazol-5-yl)propanoic acid (CAS# 80403-82-3) is a useful research chemical. |
Molecular Weight: | 175.57 |
Molecular Formula: | C6H6ClNO3 |
Canonical SMILES: | C1=C(ON=C1Cl)CCC(=O)O |
InChI: | InChI=1S/C6H6ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h3H,1-2H2,(H,9,10) |
InChI Key: | ZGQBVKLPCMHTEI-UHFFFAOYSA-N |
Boiling Point: | 341.1 °C at 760 mmHg |
Density: | 1.446 g/cm3 |
MDL: | MFCD02736475 |
LogP: | 1.34520 |
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 |
EP-3157938-A1 | Hetero functional binding systems | 20140617 |
US-2017115285-A1 | Hetero functional binding systems | 20140617 |
WO-2015192183-A1 | Hetero functional binding systems | 20140617 |
US-10768176-B2 | Hetero functional binding systems | 20140617 |
AU-2010326108-C1 | Novel tricyclic compounds | 20091201 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0036207 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Isoxazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS