3-(Nitromethyl)-3-oxetanol - CAS 1419518-51-6
Catalog: |
BB009276 |
Product Name: |
3-(Nitromethyl)-3-oxetanol |
CAS: |
1419518-51-6 |
Synonyms: |
3-(nitromethyl)-3-oxetanol; 3-(nitromethyl)oxetan-3-ol |
IUPAC Name: | 3-(nitromethyl)oxetan-3-ol |
Description: | 3-(Nitromethyl)-3-oxetanol (CAS# 1419518-51-6 ) is a useful research chemical. |
Molecular Weight: | 133.10 |
Molecular Formula: | C4H7NO4 |
Canonical SMILES: | C1C(CO1)(C[N+](=O)[O-])O |
InChI: | InChI=1S/C4H7NO4/c6-4(1-5(7)8)2-9-3-4/h6H,1-3H2 |
InChI Key: | JEPCBTMGAAIBML-UHFFFAOYSA-N |
LogP: | -0.45240 |
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-10766888-B1 | HMOX1 inducers | 20190412 |
WO-2020210339-A1 | Hmox1 inducers | 20190412 |
US-2020055874-A1 | INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION | 20180820 |
WO-2020041169-A2 | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
TW-202021594-A | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.03750770 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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