Ethyl 3-Hydroxycyclobutanecarboxylate - CAS 17205-02-6
Catalog: |
BB012791 |
Product Name: |
Ethyl 3-Hydroxycyclobutanecarboxylate |
CAS: |
17205-02-6 |
Synonyms: |
3-hydroxy-1-cyclobutanecarboxylic acid ethyl ester; ethyl 3-hydroxycyclobutane-1-carboxylate |
IUPAC Name: | ethyl 3-hydroxycyclobutane-1-carboxylate |
Description: | Ethyl 3-Hydroxycyclobutanecarboxylate (CAS# 17205-02-6) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | CCOC(=O)C1CC(C1)O |
InChI: | InChI=1S/C7H12O3/c1-2-10-7(9)5-3-6(8)4-5/h5-6,8H,2-4H2,1H3 |
InChI Key: | KTVUZBJHOAPDGC-UHFFFAOYSA-N |
Boiling Point: | 209.4 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
MDL: | MFCD09758972 |
LogP: | 0.32040 |
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-2020108075-A1 | 8-aminoisoquinoline compounds and uses thereof | 20181003 |
WO-2020072695-A1 | 8-aminoisoquinoline compounds and uses thereof | 20181003 |
TW-202023558-A | 8-aminoisoquinoline compounds and uses thereof | 20181003 |
CN-113166062-A | 8-aminoisoquinoline compounds and uses thereof | 20181003 |
EP-3860980-A1 | 8-aminoisoquinoline compounds and uses thereof | 20181003 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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