3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid - CAS 80866-93-9
Catalog: |
BB036572 |
Product Name: |
3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid |
CAS: |
80866-93-9 |
Synonyms: |
2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid |
IUPAC Name: | 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid |
Description: | 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid (CAS# 80866-93-9) is a useful research chemical. |
Molecular Weight: | 170.16 |
Molecular Formula: | C8H10O4 |
Canonical SMILES: | CC1(CC(=O)C=C(O1)C(=O)O)C |
InChI: | InChI=1S/C8H10O4/c1-8(2)4-5(9)3-6(12-8)7(10)11/h3H,4H2,1-2H3,(H,10,11) |
InChI Key: | ANKQOBXQEHGUJT-UHFFFAOYSA-N |
Boiling Point: | 259 °C at 760 mmHg |
Appearance: | White to tan solid |
MDL: | MFCD00006575 |
LogP: | 0.72290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2012356083-A1 | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
AU-2012356083-B2 | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
CA-2859764-A1 | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
CA-2859764-C | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
EP-2794600-A1 | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.05790880 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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