Tetrahydro-2H-pyran-2-ylacetic acid - CAS 13103-40-7
Catalog: |
BB007227 |
Product Name: |
Tetrahydro-2H-pyran-2-ylacetic acid |
CAS: |
13103-40-7 |
Synonyms: |
2-(2-oxanyl)acetic acid; 2-(oxan-2-yl)acetic acid |
IUPAC Name: | 2-(oxan-2-yl)acetic acid |
Description: | Tetrahydro-2H-pyran-2-ylacetic acid (CAS# 13103-40-7) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | C1CCOC(C1)CC(=O)O |
InChI: | InChI=1S/C7H12O3/c8-7(9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H,8,9) |
InChI Key: | WRJWKHJGSNPGND-UHFFFAOYSA-N |
Boiling Point: | 285.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.111 g/cm3 |
MDL: | MFCD03990565 |
LogP: | 1.03020 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020249957-A1 | Compounds for treating respiratory disease | 20190612 |
AU-2018300043-A1 | Bicyclic ketone compounds and methods of use thereof | 20170714 |
CA-3067944-A1 | Bicyclic ketone compounds and methods of use thereof | 20170714 |
CN-110914271-A | Bicyclic ketone compounds and methods of use thereof | 20170714 |
EP-3652178-A1 | Bicyclic ketone compounds and methods of use thereof | 20170714 |
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: | 0.5 |
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