2-(4-Tetrahydropyranyl)acetic Acid - CAS 85064-61-5
Catalog: |
BB037447 |
Product Name: |
2-(4-Tetrahydropyranyl)acetic Acid |
CAS: |
85064-61-5 |
Synonyms: |
2-(4-oxanyl)acetic acid; 2-(oxan-4-yl)acetic acid |
IUPAC Name: | 2-(oxan-4-yl)acetic acid |
Description: | 2-(4-Tetrahydropyranyl)acetic Acid (CAS# 85064-61-5) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | C1COCCC1CC(=O)O |
InChI: | InChI=1S/C7H12O3/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H,8,9) |
InChI Key: | PBXYNWPYMVWJAH-UHFFFAOYSA-N |
Boiling Point: | 285.1 °C at 760 mmHg |
Density: | 1.111 g/cm3 |
MDL: | MFCD01631204 |
LogP: | 0.88770 |
GHS Hazard Statement: | H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021203025-A1 | 1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
WO-2021203028-A1 | 7- or 8-hydroxy-isoquinoline and 7- or 8-hydroxy-quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
CA-3103120-A1 | Chemical compounds | 20191220 |
US-2021188829-A1 | Chemical Compounds | 20191220 |
WO-2021124155-A1 | Benzimidazole derivatives | 20191220 |
Complexity: | 116 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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