trans-Cyclobutane-1,2-dicarboxylic acid - CAS 1124-13-6
Catalog: |
BB002962 |
Product Name: |
trans-Cyclobutane-1,2-dicarboxylic acid |
CAS: |
1124-13-6 |
Synonyms: |
(1R,2R)-cyclobutane-1,2-dicarboxylic acid |
IUPAC Name: | (1R,2R)-cyclobutane-1,2-dicarboxylic acid |
Description: | trans-Cyclobutane-1,2-dicarboxylic acid (CAS# 1124-13-6) is a useful research chemical. |
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-/m1/s1 |
InChI Key: | SUSAGCZZQKACKE-QWWZWVQMSA-N |
Boiling Point: | 397.8 ℃ at 760 mmHg |
Melting Point: | 125-131 ℃ |
Purity: | 95 % |
Density: | 1.407 g/cm3 |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD00068260 |
LogP: | 0.18180 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021179570-A1 | Processes and intermediates for preparing mcl1 inhibitors | 20191126 |
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 |
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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