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823198-77-2

823198-77-2 | Pyridine, 2-methoxy-6-(phenylethynyl)-, hydrochloride

CAS No: 823198-77-2 Catalog No: AG0054NQ MDL No:

Product Description

Catalog Number:
AG0054NQ
Chemical Name:
Pyridine, 2-methoxy-6-(phenylethynyl)-, hydrochloride
CAS Number:
823198-77-2
Molecular Formula:
C14H12ClNO
Molecular Weight:
245.7042
IUPAC Name:
2-methoxy-6-(2-phenylethynyl)pyridine;hydrochloride
InChI:
InChI=1S/C14H11NO.ClH/c1-16-14-9-5-8-13(15-14)11-10-12-6-3-2-4-7-12;/h2-9H,1H3;1H
InChI Key:
SCGUZWZYZPRPTE-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)C#Cc1ccccc1.Cl

Properties

Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.061g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.706g/mol
Monoisotopic Mass:
245.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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