4-(Hydroxymethyl)-5-methylisoxazole - CAS 100367-49-5
Catalog: |
BB000198 |
Product Name: |
4-(Hydroxymethyl)-5-methylisoxazole |
CAS: |
100367-49-5 |
Synonyms: |
(5-methyl-4-isoxazolyl)methanol; (5-methyl-1,2-oxazol-4-yl)methanol |
IUPAC Name: | (5-methyl-1,2-oxazol-4-yl)methanol |
Description: | 4-(Hydroxymethyl)-5-methylisoxazole (CAS# 100367-49-5) is a useful research chemical. |
Molecular Weight: | 113.11 |
Molecular Formula: | C5H7NO2 |
Canonical SMILES: | CC1=C(C=NO1)CO |
InChI: | InChI=1S/C5H7NO2/c1-4-5(3-7)2-6-8-4/h2,7H,3H2,1H3 |
InChI Key: | NRKINZVWZUPBPP-UHFFFAOYSA-N |
LogP: | 0.47530 |
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-2018148745-A1 | Compounds and their methods of use | 20170213 |
US-2020247793-A1 | Compounds and their methods of use | 20170213 |
AU-2015359082-A1 | 2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG | 20141212 |
CA-2969296-A1 | 2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of parg | 20141212 |
EP-3230273-A1 | 2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of parg | 20141212 |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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