3-(Nitromethylene)oxetane - CAS 922500-95-6
Catalog: |
BB040463 |
Product Name: |
3-(Nitromethylene)oxetane |
CAS: |
922500-95-6 |
Synonyms: |
3-(nitromethylidene)oxetane; 3-(nitromethylidene)oxetane |
IUPAC Name: | 3-(nitromethylidene)oxetane |
Description: | 3-(Nitromethylene)oxetane (CAS# 922500-95-6) is a useful research chemical. |
Molecular Weight: | 115.09 |
Molecular Formula: | C4H5NO3 |
Canonical SMILES: | C1C(=C[N+](=O)[O-])CO1 |
InChI: | InChI=1S/C4H5NO3/c6-5(7)1-4-2-8-3-4/h1H,2-3H2 |
InChI Key: | YYPAYWPSPJDUBG-UHFFFAOYSA-N |
MDL: | MFCD12547195 |
LogP: | 0.70040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021076617-A1 | Broad spectrum anti-cancer compounds | 20191014 |
WO-2021065980-A1 | Bet degrader | 20190930 |
TW-202003469-A | Compounds with anticancer activity | 20180330 |
WO-2019189778-A1 | Compound with anticancer activity | 20180330 |
AU-2019242518-A1 | Compound with anticancer activity | 20180330 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.026943022 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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