2-(3-Buten-1-yl)-1,3-propanediol - CAS 16652-26-9

Catalog:	BB012288
Product Name:	2-(3-Buten-1-yl)-1,3-propanediol
CAS:	16652-26-9
Synonyms:	2-but-3-enylpropane-1,3-diol; 2-but-3-enylpropane-1,3-diol

Technical Data

Patents

Computed Properties

IUPAC Name:	2-but-3-enylpropane-1,3-diol
Description:	2-(3-Buten-1-yl)-1,3-propanediol (CAS# 16652-26-9 ) is a useful research chemical.
Molecular Weight:	130.18
Molecular Formula:	C7H14O2
Canonical SMILES:	C=CCCC(CO)CO
InChI:	InChI=1S/C7H14O2/c1-2-3-4-7(5-8)6-9/h2,7-9H,1,3-6H2
InChI Key:	DCHNIFBEMXMKKG-UHFFFAOYSA-N
LogP:	0.55340

Publication Number	Title	Priority Date
US-10544244-B2	Bridged biphenyl phenol transition metal complexes, production and use thereof	20170802
US-2019040165-A1	Bridged Biphenyl Phenol Transition Metal Complexes, Production and Use Thereof	20170802
WO-2019027572-A1	BRIDGE TRANSITION-BIPHENYL PHENOL METAL COMPLEXES, PRODUCTION AND USE THEREOF	20170802
EP-3363791-A1	Hydrophilic compounds for optically active devices	20170215
EP-3583098-B1	Hydrophilic compounds for optically active devices	20170215

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Complexity:	67.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.099379685
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	130.099379685
Rotatable Bond Count:	5
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6