3-Methyladipic acid - CAS 3058-01-3
Catalog: |
BB020646 |
Product Name: |
3-Methyladipic acid |
CAS: |
3058-01-3 |
Synonyms: |
3-methylhexanedioic acid |
IUPAC Name: | 3-methylhexanedioic acid |
Description: | 3-Methyladipic acid (CAS# 3058-01-3) is a useful research chemical compound. |
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) |
InChI Key: | SYEOWUNSTUDKGM-UHFFFAOYSA-N |
Boiling Point: | 341 °C |
Density: | 1.197 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00002804 |
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 |
CN-112680097-A | Polyamide powder coating and preparation method and application thereof | 20201225 |
JP-6923064-B1 | Laminates and wavelength cut filters | 20201215 |
JP-2021073104-A | Graphic film for license plate and license plate, and their manufacturing method | 20201211 |
JP-6879425-B1 | Laminated body, thermal recording body, and image forming method | 20201117 |
CN-112457636-A | Preparation method of polyester for film | 20201010 |
PMID | Publication Date | Title | Journal |
22013910 | 20111021 | Computational analysis of a novel mutation in ETFDH gene highlights its long-range effects on the FAD-binding motif | BMC structural biology |
21786793 | 20110908 | Synthesis and biological activities of (R)- and (S)-N-(4-Methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-aminium chloride as potent cytotoxic antitubulin agents | Journal of medicinal chemistry |
20973488 | 20101125 | Synthesis and discovery of water-soluble microtubule targeting agents that bind to the colchicine site on tubulin and circumvent Pgp mediated resistance | Journal of medicinal chemistry |
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: | 0 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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