[2-(1,5-Dimethyl-1H-pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl](oxo)acetic acid - CAS 938022-11-8
Catalog: |
BB049083 |
Product Name: |
[2-(1,5-Dimethyl-1H-pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl](oxo)acetic acid |
CAS: |
938022-11-8 |
Synonyms: |
2-(2-(1,5-Dimethyl-1H-pyrrol-2-yl)-4-methylthiazol-5-yl)-2-oxoacetic acid; 5-Thiazoleacetic acid, 2-(1,5-dimethyl-1H-pyrrol-2-yl)-4-methyl-α-oxo- |
IUPAC Name: | 2-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-oxoacetic acid |
Description: | [2-(1,5-Dimethyl-1H-pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl](oxo)acetic acid (CAS# 938022-11-8 ) is a useful research chemical. |
Molecular Weight: | 264.30 |
Molecular Formula: | C12H12N2O3S |
Canonical SMILES: | CC1=CC=C(N1C)C2=NC(=C(S2)C(=O)C(=O)O)C |
InChI: | InChI=1S/C12H12N2O3S/c1-6-4-5-8(14(6)3)11-13-7(2)10(18-11)9(15)12(16)17/h4-5H,1-3H3,(H,16,17) |
InChI Key: | FNUXIWUABSFWJU-UHFFFAOYSA-N |
Boiling Point: | 481.1±55.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.40±0.1 g/cm3 (Predicted) |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.05686342 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.05686342 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 100 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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