Methyl Tetrahydropyran-2-carboxylate - CAS 84355-44-2
Catalog: |
BB037176 |
Product Name: |
Methyl Tetrahydropyran-2-carboxylate |
CAS: |
84355-44-2 |
Synonyms: |
2-oxanecarboxylic acid methyl ester; methyl oxane-2-carboxylate |
IUPAC Name: | methyl oxane-2-carboxylate |
Description: | Methyl Tetrahydropyran-2-carboxylate (CAS# 84355-44-2) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | COC(=O)C1CCCCO1 |
InChI: | InChI=1S/C7H12O3/c1-9-7(8)6-4-2-3-5-10-6/h6H,2-5H2,1H3 |
InChI Key: | MHZRCUVVJMWSMP-UHFFFAOYSA-N |
Boiling Point: | 183.307 °C at 760 mmHg |
Density: | 1.067 g/cm3 |
LogP: | 0.72850 |
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-2021117880-A1 | Photopolymerization initiator | 20191213 |
CN-113518618-A | Compounds, compositions and methods | 20190213 |
TW-201938540-A | Compounds, compositions and methods for treating diseases involving acidic or hypoxic diseased tissues | 20180105 |
BR-112020013672-A2 | compounds, compositions, and methods for treating diseases involving tissues affected by acids or hypoxia | 20180105 |
CN-111989137-A | Compounds, compositions and methods for treating diseases involving acidic or hypoxic diseased tissue | 20180105 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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