4-(Hydroxymethyl)-4-methyltetrahydropyran - CAS 502609-47-4
Catalog: |
BB026980 |
Product Name: |
4-(Hydroxymethyl)-4-methyltetrahydropyran |
CAS: |
502609-47-4 |
Synonyms: |
(4-methyl-4-oxanyl)methanol; (4-methyloxan-4-yl)methanol |
IUPAC Name: | (4-methyloxan-4-yl)methanol |
Description: | 4-(Hydroxymethyl)-4-methyltetrahydropyran (CAS# 502609-47-4) is a useful research chemical. |
Molecular Weight: | 130.18 |
Molecular Formula: | C7H14O2 |
Canonical SMILES: | CC1(CCOCC1)CO |
InChI: | InChI=1S/C7H14O2/c1-7(6-8)2-4-9-5-3-7/h8H,2-6H2,1H3 |
InChI Key: | HKNGCILTDHGUEO-UHFFFAOYSA-N |
LogP: | 0.79540 |
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 |
US-2021147360-A1 | Ssao inhibitors and use thereof | 20191029 |
WO-2021083209-A1 | Ssao inhibitors and use thereof | 20191029 |
WO-2020087202-A1 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of m4 muscarinic acetylcholine receptor | 20181029 |
WO-2020092102-A2 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor | 20181029 |
EP-3873467-A2 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor | 20181029 |
Complexity: | 84.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.099379685 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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