4-(Hydroxymethyl)-1,3-benzodioxole - CAS 769-30-2
Catalog: |
BB035754 |
Product Name: |
4-(Hydroxymethyl)-1,3-benzodioxole |
CAS: |
769-30-2 |
Synonyms: |
1,3-benzodioxol-4-ylmethanol; 1,3-benzodioxol-4-ylmethanol |
IUPAC Name: | 1,3-benzodioxol-4-ylmethanol |
Description: | 4-(Hydroxymethyl)-1,3-benzodioxole (CAS# 769-30-2) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | C1OC2=CC=CC(=C2O1)CO |
InChI: | InChI=1S/C8H8O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,9H,4-5H2 |
InChI Key: | XVCMMPXFVAHHQN-UHFFFAOYSA-N |
Boiling Point: | 124 °C |
Density: | 1.329 g/cm3 |
LogP: | 0.90760 |
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-2012114252-A1 | Novel indole and pyrrolopyridine amides | 20110221 |
WO-2012112447-A2 | Histone deacetylase inhibitors and methods of use thereof | 20110214 |
AU-2010309882-A1 | Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors | 20091020 |
AU-2010309882-B2 | Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors | 20091020 |
CA-2775009-A1 | Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors | 20091020 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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