2-(3-Oxetanyl)acetic Acid - CAS 1310381-54-4
Catalog: |
BB007229 |
Product Name: |
2-(3-Oxetanyl)acetic Acid |
CAS: |
1310381-54-4 |
Synonyms: |
2-(3-oxetanyl)acetic acid; 2-(oxetan-3-yl)acetic acid |
IUPAC Name: | 2-(oxetan-3-yl)acetic acid |
Description: | 2-(3-Oxetanyl)acetic Acid (CAS# 1310381-54-4) is a useful research chemical. |
Molecular Weight: | 116.12 |
Molecular Formula: | C5H8O3 |
Canonical SMILES: | C1C(CO1)CC(=O)O |
InChI: | InChI=1S/C5H8O3/c6-5(7)1-4-2-8-3-4/h4H,1-3H2,(H,6,7) |
InChI Key: | FSJPCGQVHNWRGI-UHFFFAOYSA-N |
MDL: | MFCD19442256 |
LogP: | 0.10750 |
Publication Number | Title | Priority Date |
US-2020171020-A1 | Substituted 6-azabenzimidazole compounds | 20181031 |
WO-2020092528-A1 | Substituted 6-azabenzimidazole compounds having hpk1 inhibitory activity | 20181031 |
TW-202031654-A | Substituted 6-azabenzimidazole compounds | 20181031 |
CN-112969505-A | Substituted 6-azabenzimidazole compounds having HPK1 inhibiting activity | 20181031 |
EP-3873608-A1 | Substituted 6-azabenzimidazole compounds having hpk1 inhibitory activity | 20181031 |
Complexity: | 95.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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