2-[2-(Benzyloxy)ethyl]propane-1,3-diol - CAS 77661-80-4
Catalog: |
BB036007 |
Product Name: |
2-[2-(Benzyloxy)ethyl]propane-1,3-diol |
CAS: |
77661-80-4 |
Synonyms: |
2-(2-phenylmethoxyethyl)propane-1,3-diol; 2-(2-phenylmethoxyethyl)propane-1,3-diol |
IUPAC Name: | 2-(2-phenylmethoxyethyl)propane-1,3-diol |
Description: | 2-[2-(Benzyloxy)ethyl]propane-1,3-diol (CAS# 77661-80-4 ) is a useful research chemical. |
Molecular Weight: | 210.27 |
Molecular Formula: | C12H18O3 |
Canonical SMILES: | C1=CC=C(C=C1)COCCC(CO)CO |
InChI: | InChI=1S/C12H18O3/c13-8-12(9-14)6-7-15-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2 |
InChI Key: | FPTZGUNAYOEVGA-UHFFFAOYSA-N |
LogP: | 1.19410 |
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-2020245084-A1 | Liquid crystal mixture and liquid crystal display | 20190604 |
WO-2020120371-A2 | Liquid crystal mixture and liquid crystal display | 20181212 |
TW-202031873-A | Liquid crystal mixture and liquid crystal display | 20181212 |
EP-3894513-A2 | Liquid crystal mixture and liquid crystal display | 20181212 |
TW-201943839-A | Liquid crystal mixture and liquid crystal display | 20180423 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.125594432 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.125594432 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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