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2-Naphthaleneethanol

CAS No.:
1485-07-0
Catalog Number:
AG001KYT
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
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Product Description
Catalog Number:
AG001KYT
Chemical Name:
2-Naphthaleneethanol
CAS Number:
1485-07-0
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
MDL Number:
MFCD00004128
IUPAC Name:
2-naphthalen-2-ylethanol
InChI:
InChI=1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2
InChI Key:
VCZANYLMPFRUHG-UHFFFAOYSA-N
SMILES:
OCCc1ccc2c(c1)cccc2
EC Number:
216-061-3
NSC Number:
21040
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
The role of weak hydrogen bonds in chiral recognition. Physical chemistry chemical physics : PCCP 20111028
Intra- vs. intermolecular hydrogen bonding: dimers of alpha-hydroxyesters with methanol. Physical chemistry chemical physics : PCCP 20061014
Chiral recognition between lactic acid derivatives and an aromatic alcohol in a supersonic expansion: electronic and vibrational spectroscopy. Physical chemistry chemical physics : PCCP 20060227
Chemoenzymatic synthesis of optically active, biodegradable polymers based on phenyl- and naphthyl-ethanols esterified with divinyladipate. Biotechnology letters 20040401
Resolution of 1-(2-naphthyl)ethanol by a combination of an enzyme-catalyzed kinetic resolution with a fluorous triphasic separative reaction. Organic letters 20020725
Properties