CAS 773-99-9 | 2-(Naphthalen-1-yl)ethanol | CAS Number 773-99-9

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773-99-9 | 2-(Naphthalen-1-yl)ethanol

CAS No: 773-99-9 Catalog No: AG003EJB MDL No:MFCD00004050

Product Description

Catalog Number:

AG003EJB

Chemical Name:

2-(Naphthalen-1-yl)ethanol

CAS Number:

773-99-9

Molecular Formula:

C12H12O

Molecular Weight:

172.2231

MDL Number:

MFCD00004050

IUPAC Name:

2-naphthalen-1-ylethanol

InChI:

InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2

InChI Key:

RXWNCMHRJCOWDK-UHFFFAOYSA-N

SMILES:

OCCc1cccc2c1cccc2

EC Number:

212-260-4

NSC Number:

28342

Properties

Complexity:

155

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.227g/mol

Monoisotopic Mass:

172.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
The role of weak hydrogen bonds in chiral recognition.	Physical chemistry chemical physics : PCCP 20111028
Structure-enantioselectivity effects in 3,4-dihydropyrimido[2,1-b]benzothiazole-based isothioureas as enantioselective acylation catalysts.	Organic & biomolecular chemistry 20110121
Chiral recognition between lactic acid derivatives and an aromatic alcohol in a supersonic expansion: electronic and vibrational spectroscopy.	Physical chemistry chemical physics : PCCP 20060227
Probing the binding dynamics to sodium cholate aggregates using naphthalene derivatives as guests.	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20031101
Enantioselectivity of human hydroxysteroid sulfotransferase ST2A3 with naphthyl-1-ethanols.	Drug metabolism and disposition: the biological fate of chemicals 20030601
Spectroscopic studies of enantiomeric discrimination in jet-cooled chiral complexes.	Chirality 20010101