Tetrahydropyran-3-carbonitrile - CAS 89464-26-6
Catalog: |
BB039486 |
Product Name: |
Tetrahydropyran-3-carbonitrile |
CAS: |
89464-26-6 |
Synonyms: |
3-oxanecarbonitrile; oxane-3-carbonitrile |
IUPAC Name: | oxane-3-carbonitrile |
Description: | Tetrahydropyran-3-carbonitrile (CAS# 89464-26-6) is a useful research chemical. |
Molecular Weight: | 111.14 |
Molecular Formula: | C6H9NO |
Canonical SMILES: | C1CC(COC1)C#N |
InChI: | InChI=1S/C6H9NO/c7-4-6-2-1-3-8-5-6/h6H,1-3,5H2 |
InChI Key: | LNJVMGVIXGCIEY-UHFFFAOYSA-N |
LogP: | 0.93658 |
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 |
KR-20210081369-A | 1,2,3,4-tetrahydroquinoxaline derivatives, preparation method and application thereof | 20190123 |
KR-20210047895-A | KEAP1-Nrf2 protein interaction inhibitor | 20180820 |
EP-3426243-A1 | 3-phosphoglycerate dehydrogenase inhibitors and uses thereof | 20160309 |
US-2019071431-A1 | 3-phosphoglycerate dehydrogenase inhibitors and uses thereof | 20160309 |
WO-2017156165-A1 | 3-phosphoglycerate dehydrogenase inhibitors and uses thereof | 20160309 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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