(S)-2-Phenyl-1-propanol - CAS 37778-99-7

Catalog:	BB023416
Product Name:	(S)-2-Phenyl-1-propanol
CAS:	37778-99-7
Synonyms:	(2S)-2-phenyl-1-propanol; (2S)-2-phenylpropan-1-ol

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	(2S)-2-phenylpropan-1-ol
Description:	(S)-2-Phenyl-1-propanol (CAS# 37778-99-7 ) is a useful research chemical.
Molecular Weight:	136.19
Molecular Formula:	C9H12O
Canonical SMILES:	CC(CO)C1=CC=CC=C1
InChI:	InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
InChI Key:	RNDNSYIPLPAXAZ-MRVPVSSYSA-N
Boiling Point:	214 °C (lit.)
Density:	0.975 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00145249
LogP:	1.78240

Publication Number	Title	Priority Date
WO-2020046966-A1	Treatment of adenocarcinomas with mapk pathway inhibitors	20180827
WO-2019076336-A1	Triazole derivative containing pyrazolyl, preparation method and application thereof	20171019
EP-3699179-A1	Pyrazolyl-containing tricyclic derivative, preparation method therefor and use thereof	20171019
CA-3032302-A1	Compounds and compositions and uses thereof	20160729
JP-2019525939-A	Compounds and compositions and their use	20160729

PMID	Publication Date	Title	Journal
21170321	20101210	Plasma metabolomic profiles reflective of glucose homeostasis in non-diabetic and type 2 diabetic obese African-American women	PloS one
17912408	20071021	Highly efficient asymmetric reduction of arylpropionic aldehydes by horse liver alcohol dehydrogenase through dynamic kinetic resolution	Chemical communications (Cambridge, England)

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Complexity:	84.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	136.088815002
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4