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62484-52-0 | 4-ETHYNYL-QUINOLINE
CAS No: 62484-52-0 Catalog No: AG00EFQN MDL No:MFCD08703535
Product Description
Catalog Number:
AG00EFQN
Chemical Name:
4-ETHYNYL-QUINOLINE
CAS Number:
62484-52-0
Molecular Formula:
C11H7N
Molecular Weight:
153.1800
MDL Number:
MFCD08703535
IUPAC Name:
4-ethynylquinoline
InChI:
InChI=1S/C11H7N/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h1,3-8H
InChI Key:
WRBICKOJBASGMC-UHFFFAOYSA-N
SMILES:
C#Cc1ccnc2c1cccc2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.184g/mol
Monoisotopic Mass:
153.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Mechanisms of formation of nitrogen-containing polycyclic aromatic compounds in low-temperature environments of planetary atmospheres: a theoretical study. | Faraday discussions 20100101 |
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