5-Methoxy-2,2-dimethyl-5-oxopentanoic Acid - CAS 34601-12-2
Catalog: |
BB072562 |
Product Name: |
5-Methoxy-2,2-dimethyl-5-oxopentanoic Acid |
CAS: |
34601-12-2 |
Synonyms: |
5-methoxy-2,2-dimethyl-5-oxopentanoic acid; 5-methoxy-2,2-dimethyl-5-oxopentanoicacid; 2,2-Dimethylpentanedioic acid 5-methyl ester |
IUPAC Name: | 5-methoxy-2,2-dimethyl-5-oxopentanoic acid |
Molecular Weight: | 174.19 |
Molecular Formula: | C8H14O4 |
Canonical SMILES: | CC(C)(CCC(=O)OC)C(=O)O |
InChI: | InChI=1S/C8H14O4/c1-8(2,7(10)11)5-4-6(9)12-3/h4-5H2,1-3H3,(H,10,11) |
InChI Key: | JDEUSVRSVYHPPR-UHFFFAOYSA-N |
References: | Cendon, B.,et.al.:ACS Catalysis,51, 3425 (2020). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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