2-Methyltetrahydropyran-2-carboxylic Acid - CAS 4180-13-6
Catalog: |
BB024962 |
Product Name: |
2-Methyltetrahydropyran-2-carboxylic Acid |
CAS: |
4180-13-6 |
Synonyms: |
2-methyl-2-oxanecarboxylic acid; 2-methyloxane-2-carboxylic acid |
IUPAC Name: | 2-methyloxane-2-carboxylic acid |
Description: | 2-Methyltetrahydropyran-2-carboxylic Acid (CAS# 4180-13-6) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | CC1(CCCCO1)C(=O)O |
InChI: | InChI=1S/C7H12O3/c1-7(6(8)9)4-2-3-5-10-7/h2-5H2,1H3,(H,8,9) |
InChI Key: | KUHXTIPLGHIAGK-UHFFFAOYSA-N |
Boiling Point: | 256.8 ℃ at 760 mmHg |
Density: | 1.124 g/cm3 |
MDL: | MFCD09864362 |
LogP: | 1.03020 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021119265-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20191210 |
WO-2019193062-A1 | Substituted pyrrolidines and their use | 20180403 |
JP-2018076368-A | Combination of hepatitis C virus inhibitors | 20180111 |
JP-2016526570-A | Combination of hepatitis C virus inhibitors | 20130709 |
JP-6333372-B2 | Combination of hepatitis C virus inhibitors | 20130709 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.078644241 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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