1-ethyl-1H-pyrrole-2-carboxylic acid - CAS 4778-76-1
Catalog: |
BB026397 |
Product Name: |
1-ethyl-1H-pyrrole-2-carboxylic acid |
CAS: |
4778-76-1 |
Synonyms: |
1-ethyl-2-pyrrolecarboxylic acid; 1-ethylpyrrole-2-carboxylic acid |
IUPAC Name: | 1-ethylpyrrole-2-carboxylic acid |
Description: | 1-ethyl-1H-pyrrole-2-carboxylic acid (CAS# 4778-76-1 ) is a useful research chemical. |
Molecular Weight: | 139.154 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | CCN1C=CC=C1C(=O)O |
InChI: | InChI=1S/C7H9NO2/c1-2-8-5-3-4-6(8)7(9)10/h3-5H,2H2,1H3,(H,9,10) |
InChI Key: | XCOJUFQICAEQEP-UHFFFAOYSA-N |
LogP: | 1.20620 |
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-2020132549-A1 | Sting heterocycle agonists and uses thereof | 20181221 |
WO-2020132582-A1 | Sting agonists and uses thereof | 20181221 |
TW-201922725-A | D-type amino acid oxidase inhibitor and use thereof | 20171018 |
US-10336724-B2 | D-amino acid oxidase inhibitors and therapeutic uses thereof | 20171018 |
US-2019112289-A1 | D-amino acid oxidase inhibitors and therapeutic uses thereof | 20171018 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyrroles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS