(2E)-3-(1,3-Benzothiazol-2-yl)acrylic acid - CAS 123530-67-6
Catalog: |
BB005707 |
Product Name: |
(2E)-3-(1,3-Benzothiazol-2-yl)acrylic acid |
CAS: |
123530-67-6 |
Synonyms: |
(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid |
Description: | (2E)-3-(1,3-Benzothiazol-2-yl)acrylic acid (CAS# 123530-67-6) is a useful research chemical. |
Molecular Weight: | 205.23 |
Molecular Formula: | C10H7NO2S |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(S2)C=CC(=O)O |
InChI: | InChI=1S/C10H7NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-6H,(H,12,13)/b6-5+ |
InChI Key: | LLWKVCNWFMPGGM-AATRIKPKSA-N |
Boiling Point: | 410.3 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.446 g/cm3 |
LogP: | 2.39410 |
Publication Number | Title | Priority Date |
US-2016221994-A1 | Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof | 20121129 |
US-9938258-B2 | Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof | 20121129 |
US-2015057278-A1 | AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF | 20110909 |
US-9765063-B2 | Amido compounds as RORγt modulators and uses thereof | 20110909 |
WO-2013036912-A2 | Amido compounds as rorÏ'tmodulators and uses thereof | 20110909 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 205.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.01974964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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