(S)-2-Phenylpropanal - CAS 33530-47-1

Catalog:	BB021761
Product Name:	(S)-2-Phenylpropanal
CAS:	33530-47-1
Synonyms:	(2S)-2-phenylpropanal; (2S)-2-phenylpropanal

Technical Data

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Computed Properties

IUPAC Name:	(2S)-2-phenylpropanal
Description:	(S)-2-Phenylpropanal (CAS# 33530-47-1 ) is a useful research chemical.
Molecular Weight:	134.18
Molecular Formula:	C9H10O
Canonical SMILES:	CC(C=O)C1=CC=CC=C1
InChI:	InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1
InChI Key:	IQVAERDLDAZARL-MRVPVSSYSA-N

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
WO-2021122684-A1	Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals	20191220
WO-2021123144-A1	Pro-perfume compositions	20191220
EP-3838891-A1	Aldimines and uses thereof	20191219
EP-3838957-A1	Polyimines and uses thereof	20191219

PMID	Publication Date	Title	Journal
20862429	20101114	Formation of multi-stereogenic centers using a catalytic diastereoselective Henry reaction	Chemical communications (Cambridge, England)
20662513	20100804	Origin of pressure effects on regioselectivity and enantioselectivity in the rhodium-catalyzed hydroformylation of styrene with (S,S,S)-BisDiazaphos	Journal of the American Chemical Society
16359174	20051201	Stability and comparative metabolism of selected felbamate metabolites and postulated fluorofelbamate metabolites by postmitochondrial suspensions	Chemical research in toxicology
15606131	20041201	Investigating the role of 2-phenylpropenal in felbamate-induced idiosyncratic drug reactions	Chemical research in toxicology
12067249	20020601	Interaction between human serum albumin and the felbamate metabolites 4-Hydroxy-5-phenyl-[1,3]oxazinan-2-one and 2-phenylpropenal	Chemical research in toxicology

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Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	134.073164938
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9