2-cyclohexyl-1,3-thiazole-4-carboxylic Acid - CAS 923605-08-7
Catalog: |
BB068832 |
Product Name: |
2-cyclohexyl-1,3-thiazole-4-carboxylic Acid |
CAS: |
923605-08-7 |
Synonyms: |
2-cyclohexylthiazole-4-carboxylic acid; 2-cyclohexyl-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-cyclohexyl-1,3-thiazole-4-carboxylic acid |
Molecular Weight: | 211.28 |
Molecular Formula: | C10H13NO2S |
Canonical SMILES: | C1CCC(CC1)C2=NC(=CS2)C(=O)O |
InChI: | InChI=1S/C10H13NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13) |
InChI Key: | SPAVOOMEYUWSIW-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.06669983 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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