2-{2-methylpyrrolo[2,1-b][1,3]thiazol-6-yl}acetic acid - CAS 1427501-85-6
Catalog: |
BB009443 |
Product Name: |
2-{2-methylpyrrolo[2,1-b][1,3]thiazol-6-yl}acetic acid |
CAS: |
1427501-85-6 |
Synonyms: |
2-(2-methyl-6-pyrrolo[2,1-b]thiazolyl)acetic acid; 2-(2-methylpyrrolo[2,1-b][1,3]thiazol-6-yl)acetic acid |
IUPAC Name: | 2-(2-methylpyrrolo[2,1-b][1,3]thiazol-6-yl)acetic acid |
Description: | 2-{2-methylpyrrolo[2,1-b][1,3]thiazol-6-yl}acetic acid (CAS# 1427501-85-6 ) is a useful research chemical. |
Molecular Weight: | 195.236 |
Molecular Formula: | C9H9NO2S |
Canonical SMILES: | CC1=CN2C=C(C=C2S1)CC(=O)O |
InChI: | InChI=1S/C9H9NO2S/c1-6-4-10-5-7(3-9(11)12)2-8(10)13-6/h2,4-5H,3H2,1H3,(H,11,12) |
InChI Key: | RSZASYFATDGQGB-UHFFFAOYSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0353997 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0353997 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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