cis-Cyclobutane-1,2-dicarboxylic acid - CAS 1461-94-5
Catalog: |
BB010055 |
Product Name: |
cis-Cyclobutane-1,2-dicarboxylic acid |
CAS: |
1461-94-5 |
Synonyms: |
(1R,2S)-cyclobutane-1,2-dicarboxylic acid |
IUPAC Name: | (1S,2R)-cyclobutane-1,2-dicarboxylic acid |
Description: | cis-Cyclobutane-1,2-dicarboxylic acid (CAS# 1461-94-5) is a useful research chemical compound. |
Molecular Weight: | 144.13 |
Molecular Formula: | C6H8O4 |
Canonical SMILES: | C1CC(C1C(=O)O)C(=O)O |
InChI: | InChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+ |
InChI Key: | SUSAGCZZQKACKE-ZXZARUISSA-N |
Boiling Point: | 377.7 ℃ at 760 mmHg |
Density: | 1.509 g/cm3 |
Appearance: | White crystalline |
MDL: | MFCD00019263 |
LogP: | 0.18180 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020147802-A1 | Macrocyclic spiroethers as mcl-1 inhibitors | 20190118 |
EP-3781574-A1 | Macrocyclic spiroethers as mcl-1 inhibitors | 20190118 |
TW-202043238-A | Macrocyclic spiroethers as mcl-1 inhibitors | 20190118 |
CN-112867722-A | MACROCYCLIC SPIROETHERS (MACROCYCLIC SPIROETHERS) as MCL-1 inhibitors | 20190118 |
WO-2020117517-A1 | Cyclobutane-containing thermally cleavable polymers | 20181204 |
PMID | Publication Date | Title | Journal |
22681197 | 20120705 | Unusual electron charge density in carboxylic acid. 17O quadrupole coupling in cis-cyclobutane-1,2-dicarboxylic acid | The journal of physical chemistry. A |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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