2,4-Dimethyl-2-methylol-1,3-dioxolane - CAS 53951-43-2
Catalog: |
BB062689 |
Product Name: |
2,4-Dimethyl-2-methylol-1,3-dioxolane |
CAS: |
53951-43-2 |
Synonyms: |
2,4-Dimethyl-1,3-dioxolane-2-methanol; (2,4-Dimethyl-1,3-dioxolan-2-yl)methanol |
IUPAC Name: | (2,4-dimethyl-1,3-dioxolan-2-yl)methanol |
Description: | 2,4-Dimethyl-2-methylol-1,3-dioxolane is a useful research reagent for organic synthesis and other chemical processes. |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CC1COC(O1)(C)CO |
InChI: | InChI=1S/C6H12O3/c1-5-3-8-6(2,4-7)9-5/h5,7H,3-4H2,1-2H3 |
InChI Key: | YYMZBDSPZJJXJM-UHFFFAOYSA-N |
References: | Sakaguchi, S., et al. Bull. Chem. Soc. Jpn., 70, 2561 (1997); Van R., et al. 141, 958 (2011). |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.078644241 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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