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Home > Pyridines > 512197-92-1
512197-92-1 | Pyridine, 2-ethynyl-6-methoxy- (9CI)
CAS No: 512197-92-1 Catalog No: AG00DHDY MDL No:MFCD11109683
Product Description
Catalog Number:
AG00DHDY
Chemical Name:
Pyridine, 2-ethynyl-6-methoxy- (9CI)
CAS Number:
512197-92-1
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD11109683
IUPAC Name:
2-ethynyl-6-methoxypyridine
InChI:
InChI=1S/C8H7NO/c1-3-7-5-4-6-8(9-7)10-2/h1,4-6H,2H3
InChI Key:
JKYLJFFXJQWGTL-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)C#C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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