cis-1,3-O-Benzylideneglycerol - CAS 4141-19-9
Catalog: |
BB024878 |
Product Name: |
cis-1,3-O-Benzylideneglycerol |
CAS: |
4141-19-9 |
Synonyms: |
2-phenyl-1,3-dioxan-5-ol |
IUPAC Name: | 2-phenyl-1,3-dioxan-5-ol |
Description: | cis-1,3-O-Benzylideneglycerol (CAS# 4141-19-9) is a compound useful in organic synthesis. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | C1C(COC(O1)C2=CC=CC=C2)O |
InChI: | InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2 |
InChI Key: | BWKDAAFSXYPQOS-UHFFFAOYSA-N |
Boiling Point: | 333.612 °C at 760 mmHg |
Density: | 1.204 g/cm3 |
Solubility: | 1.025e+005 mg/L at 25 °C (est) |
MDL: | MFCD00274343 |
LogP: | 1.09290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112174927-A | Preparation method of glycerol formal | 20201105 |
CN-112174927-B | Preparation method of glycerol formal | 20201105 |
WO-2021076630-A1 | Nano-enabled immunotherapy in cancer | 20191014 |
US-2021015957-A1 | Method of atomizing a fluid composition | 20190717 |
US-2021015958-A1 | Method of atomizing a fluid composition | 20190717 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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