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1233505-71-9 | 6-ethynyl-2-methylquinoline
CAS No: 1233505-71-9 Catalog No: AG01A2T0 MDL No:MFCD11655762
Product Description
Catalog Number:
AG01A2T0
Chemical Name:
6-ethynyl-2-methylquinoline
CAS Number:
1233505-71-9
Molecular Formula:
C12H9N
Molecular Weight:
167.2066
MDL Number:
MFCD11655762
IUPAC Name:
6-ethynyl-2-methylquinoline
InChI:
InChI=1S/C12H9N/c1-3-10-5-7-12-11(8-10)6-4-9(2)13-12/h1,4-8H,2H3
InChI Key:
RUBMXVASWPYMLX-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)ccc(n2)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.211g/mol
Monoisotopic Mass:
167.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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