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

Technical Data

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Computed Properties

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

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

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

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