Tetrahydropyran-3-acetic Acid - CAS 102539-71-9
Catalog: |
BB000882 |
Product Name: |
Tetrahydropyran-3-acetic Acid |
CAS: |
102539-71-9 |
Synonyms: |
2-(3-oxanyl)acetic acid; 2-(oxan-3-yl)acetic acid |
IUPAC Name: | 2-(oxan-3-yl)acetic acid |
Description: | Tetrahydropyran-3-acetic Acid (CAS# 102539-71-9) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | C1CC(COC1)CC(=O)O |
InChI: | InChI=1S/C7H12O3/c8-7(9)4-6-2-1-3-10-5-6/h6H,1-5H2,(H,8,9) |
InChI Key: | FXLVHFGMKHRPIU-UHFFFAOYSA-N |
Boiling Point: | 285.1 °C at 760 mmHg |
Density: | 1.111 g/cm3 |
MDL: | MFCD10700199 |
LogP: | 0.88770 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020225095-A1 | Masp inhibitory compounds and uses thereof | 20190507 |
US-2021246166-A1 | Masp inhibitory compounds and uses thereof | 20190507 |
AU-2017364901-A1 | Compounds and their methods of use | 20161128 |
BR-112019010880-A2 | compounds and their methods of use | 20161128 |
CA-3045121-A1 | Compounds and their methods of use | 20161128 |
Complexity: | 122 |
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: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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