3-Methyltetrahydropyran-3-carboxylic Acid - CAS 1158760-05-4
Catalog: |
BB003645 |
Product Name: |
3-Methyltetrahydropyran-3-carboxylic Acid |
CAS: |
1158760-05-4 |
Synonyms: |
3-methyl-3-oxanecarboxylic acid; 3-methyloxane-3-carboxylic acid |
IUPAC Name: | 3-methyloxane-3-carboxylic acid |
Description: | 3-Methyltetrahydropyran-3-carboxylic Acid (CAS# 1158760-05-4) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | CC1(CCCOC1)C(=O)O |
InChI: | InChI=1S/C7H12O3/c1-7(6(8)9)3-2-4-10-5-7/h2-5H2,1H3,(H,8,9) |
InChI Key: | GYXCLKMUISFKJR-UHFFFAOYSA-N |
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 |
WO-2021119265-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20191210 |
TW-202010492-A | Amino acid compounds with unbranched linkers and methods of use | 20180627 |
US-2020123151-A1 | Amino acid compounds with unbranched linkers and methods of use | 20180627 |
WO-2020006315-A1 | Amino acid compounds with unbranched linkers and methods of use | 20180627 |
AU-2019295769-A1 | Amino acid compounds with unbranched linkers and methods of use | 20180627 |
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: | 0.5 |
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