2-Methyltetrahydrofuran-2-carboxylic Acid - CAS 61449-65-8
Catalog: |
BB031114 |
Product Name: |
2-Methyltetrahydrofuran-2-carboxylic Acid |
CAS: |
61449-65-8 |
Synonyms: |
2-methyl-2-oxolanecarboxylic acid; 2-methyloxolane-2-carboxylic acid |
IUPAC Name: | 2-methyloxolane-2-carboxylic acid |
Description: | 2-Methyltetrahydrofuran-2-carboxylic Acid (CAS# 61449-65-8) is an heteroaryl heptanamide derivative used in the treatment of parasitic diseases. |
Molecular Weight: | 130.14 |
Molecular Formula: | C6H10O3 |
Canonical SMILES: | CC1(CCCO1)C(=O)O |
InChI: | InChI=1S/C6H10O3/c1-6(5(7)8)3-2-4-9-6/h2-4H2,1H3,(H,7,8) |
InChI Key: | WMQAQMYIZDJCDJ-UHFFFAOYSA-N |
Boiling Point: | 239.6 °C at 760 mmHg |
Density: | 1.178 g/cm3 |
MDL: | MFCD06809613 |
LogP: | 0.64010 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020171020-A1 | Substituted 6-azabenzimidazole compounds | 20181031 |
WO-2020092528-A1 | Substituted 6-azabenzimidazole compounds having hpk1 inhibitory activity | 20181031 |
TW-202031654-A | Substituted 6-azabenzimidazole compounds | 20181031 |
CN-112969505-A | Substituted 6-azabenzimidazole compounds having HPK1 inhibiting activity | 20181031 |
EP-3873608-A1 | Substituted 6-azabenzimidazole compounds having hpk1 inhibitory activity | 20181031 |
PMID | Publication Date | Title | Journal |
22182576 | 20120115 | Enhancement of optical properties of dyes for bioprobes by freezing effect of molecular motion using POSS-core dendrimers | Bioorganic & medicinal chemistry |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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