2-Methoxy-2-(1-naphthyl)propionic Acid - CAS 63628-25-1

Catalog:	BB032220
Product Name:	2-Methoxy-2-(1-naphthyl)propionic Acid
CAS:	63628-25-1
Synonyms:	2-methoxy-2-(1-naphthalenyl)propanoic acid; 2-methoxy-2-naphthalen-1-ylpropanoic acid

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Computed Properties

IUPAC Name:	2-methoxy-2-naphthalen-1-ylpropanoic acid
Description:	2-Methoxy-2-(1-naphthyl)propionic Acid (CAS# 63628-25-1) is a useful research chemical.
Molecular Weight:	230.26
Molecular Formula:	C14H14O3
Canonical SMILES:	CC(C1=CC=CC2=CC=CC=C21)(C(=O)O)OC
InChI:	InChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)
InChI Key:	YVWMPILNFZOQSZ-UHFFFAOYSA-N
Boiling Point:	403.6 °C at 760 mmHg
Density:	1.204 g/cm³
LogP:	2.78600

Publication Number	Title	Priority Date
JP-2020064325-A	Photosensitive resin composition	20200116
JP-2018146978-A	Photosensitive resin composition	20180531
JP-6649433-B2	Photosensitive resin composition	20180531
JP-2018055124-A	Photosensitive resin composition	20171207
JP-6523419-B2	Photosensitive resin composition	20171207

PMID	Publication Date	Title	Journal
18776678	20080901	Preparation of single-enantiomer biofunctional molecules with (S)-2-methoxy-2-(1-naphthyl)propanoic acid	Bioscience, biotechnology, and biochemistry
16631765	20060602	Preparation of single-enantiomer 2-methyl-4-heptanol, a pheromone of Metamasius hemipterus, using (S)-2-methoxy-2-(1-naphthyl)propionic acid	Journal of chromatography. A
16432916	20060201	Preparation of enantiopure Wieland-Miescher ketone and derivatives by the MalphaNP acid method: substituent effect on the HPLC separation	Chirality
16189833	20051101	Investigations of molecular recognition aspects related to the enantiomer separation of 2-methoxy-2-(1-naphthyl)propionic acid using quinine carbamate as chiral selector: An NMR and FT-IR spectroscopic as well as X-ray crystallographic study	Chirality
15830406	20050505	Synthesis of enantiopure phthalides including 3-butylphthalide, a fragrance component of celery oil, and determination of their absolute configurations	Chirality

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	289
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.094294304
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.094294304
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9