2-Cyano-3-cyclopropylacrylic Acid - CAS 98895-60-4
Catalog: |
BB042228 |
Product Name: |
2-Cyano-3-cyclopropylacrylic Acid |
CAS: |
98895-60-4 |
Synonyms: |
(E)-2-cyano-3-cyclopropyl-2-propenoic acid; (E)-2-cyano-3-cyclopropylprop-2-enoic acid |
IUPAC Name: | (E)-2-cyano-3-cyclopropylprop-2-enoic acid |
Description: | 2-Cyano-3-cyclopropylacrylic Acid (CAS# 98895-60-4) is a useful research chemical. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | C1CC1C=C(C#N)C(=O)O |
InChI: | InChI=1S/C7H7NO2/c8-4-6(7(9)10)3-5-1-2-5/h3,5H,1-2H2,(H,9,10)/b6-3+ |
InChI Key: | FZERGXZRBYBPDM-ZZXKWVIFSA-N |
LogP: | 0.93098 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020023340-A1 | Single molecule compounds providing multi-target inhibition of btk and other proteins and methods of use thereof | 20180723 |
EP-3827006-A1 | Single molecule compounds providing multi-target inhibition of btk and other proteins and methods of use thereof | 20180723 |
US-2021300939-A1 | Single Molecule Compounds Providing Multi-Target Inhibition of BTK and Other Proteins and Methods of Use Thereof | 20180723 |
US-2021179630-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
WO-2018103058-A1 | Inhibitors of bruton's tyrosine kinase and methods of their use | 20161209 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 137.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS