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405313-59-9 | 3,6-Diethynylquinoline
CAS No: 405313-59-9 Catalog No: AG01ECVN MDL No:
Product Description
Catalog Number:
AG01ECVN
Chemical Name:
3,6-Diethynylquinoline
CAS Number:
405313-59-9
IUPAC Name:
3,6-diethynylquinoline
InChI:
InChI=1S/C13H7N/c1-3-10-5-6-13-12(7-10)8-11(4-2)9-14-13/h1-2,5-9H
InChI Key:
JCYWXAYAZPTOJN-UHFFFAOYSA-N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.206g/mol
Monoisotopic Mass:
177.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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