4-(4-Tredecyloxy-phenyl)-thiomorpholine 1,1-dioxide - CAS 114625-74-0
Catalog: |
BB044140 |
Product Name: |
4-(4-Tredecyloxy-phenyl)-thiomorpholine 1,1-dioxide |
CAS: |
114625-74-0 |
Synonyms: |
2,5-dihydroxy-5-methyl-3-(morpholin-4-yl)-2-cyclopenten-1-one; 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-(4-morpholinyl) |
IUPAC Name: | 2,5-dihydroxy-5-methyl-3-morpholin-4-ylcyclopent-2-en-1-one |
Description: | 4-(4-Tredecyloxy-phenyl)-thiomorpholine 1,1-dioxide (CAS# 114625-74-0 ) is a useful research chemical. |
Molecular Weight: | 213.23 |
Molecular Formula: | C10H15NO4 |
Canonical SMILES: | CC1(CC(=C(C1=O)O)N2CCOCC2)O |
InChI: | InChI=1S/C10H15NO4/c1-10(14)6-7(8(12)9(10)13)11-2-4-15-5-3-11/h12,14H,2-6H2,1H3 |
InChI Key: | RQUYIFOAVPVRMZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral]; H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P270, P273, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.10010796 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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