3-Methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde - CAS 795290-89-0
Catalog: |
BB060161 |
Product Name: |
3-Methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde |
CAS: |
795290-89-0 |
Synonyms: |
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde; 3-Methoxy-4-((2-methylthiazol-4-yl)methoxy)benzaldehyde |
IUPAC Name: | 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde |
Description: | 3-Methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde |
Molecular Weight: | 263.31 |
Molecular Formula: | C13H13NO3S |
Canonical SMILES: | CC1=NC(=CS1)COC2=C(C=C(C=C2)C=O)OC |
InChI: | InChI=1S/C13H13NO3S/c1-9-14-11(8-18-9)7-17-12-4-3-10(6-15)5-13(12)16-2/h3-6,8H,7H2,1-2H3 |
InChI Key: | KQJKXBCWWWOERE-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.06161445 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.06161445 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 76.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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