1-(Methoxymethyl)cyclobutanecarboxylic acid - CAS 1082766-22-0
Catalog: |
BB002222 |
Product Name: |
1-(Methoxymethyl)cyclobutanecarboxylic acid |
CAS: |
1082766-22-0 |
Synonyms: |
1-(methoxymethyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(methoxymethyl)cyclobutane-1-carboxylic acid |
Description: | 1-(Methoxymethyl)cyclobutanecarboxylic acid (CAS# 1082766-22-0) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | COCC1(CCC1)C(=O)O |
InChI: | InChI=1S/C7H12O3/c1-10-5-7(6(8)9)3-2-4-7/h2-5H2,1H3,(H,8,9) |
InChI Key: | RCYWGWYQQBABKC-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD11505299 |
LogP: | 0.88770 |
GHS Hazard Statement: | H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-201643158-A | Isoxazole derivative as mutated isocitrate dehydrogenase 1 inhibitor | 20150609 |
TW-I681959-B | Isoxazole derivatives as inhibitors of variant isocitrate dehydrogenase 1 | 20150609 |
AU-2015325279-A1 | Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor | 20141001 |
AU-2015325279-B2 | Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor | 20141001 |
CA-2963359-A1 | Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor | 20141001 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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