(R)-(+)-3-Methyladipic acid - CAS 623-82-5
Catalog: |
BB031568 |
Product Name: |
(R)-(+)-3-Methyladipic acid |
CAS: |
623-82-5 |
Synonyms: |
(3R)-3-methylhexanedioic acid |
IUPAC Name: | (3R)-3-methylhexanedioic acid |
Description: | (R)-(+)-3-Methyladipic acid (CAS# 623-82-5 ) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C7H12O4 |
Canonical SMILES: | CC(CCC(=O)O)CC(=O)O |
InChI: | InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m1/s1 |
InChI Key: | SYEOWUNSTUDKGM-RXMQYKEDSA-N |
Boiling Point: | 230 °C / 30 mmHg (lit.) |
Density: | 1.197 g/cm3 |
MDL: | MFCD00063200 |
LogP: | 0.96200 |
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-10696657-B2 | Methods and intermediates for preparing therapeutic compounds | 20180216 |
US-2019300505-A1 | Methods and intermediates for preparing therapeutic compounds | 20180216 |
WO-2019161280-A1 | Methods and intermediates for preparing a therapeutic compound useful in the treatment of retroviridae viral infection | 20180216 |
EP-3752496-A1 | Methods and intermediates for preparing a therapeutic compound useful in the treatment of retroviridae viral infection | 20180216 |
US-2020369647-A1 | Methods and intermediates for preparing therapeutic compounds | 20180216 |
PMID | Publication Date | Title | Journal |
16851108 | 20050203 | Thermotropic properties of organic nanocrystals embedded in ultrasmall crystallization chambers | The journal of physical chemistry. B |
15631497 | 20050112 | Supramolecular helical mesomorphic polymers. Chiral induction through H-bonding | Journal of the American Chemical Society |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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