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848741-50-4

848741-50-4 | Quinoline, 3-(1,2-propadienyl)-

CAS No: 848741-50-4 Catalog No: AG004MLP MDL No:

Product Description

Catalog Number:
AG004MLP
Chemical Name:
Quinoline, 3-(1,2-propadienyl)-
CAS Number:
848741-50-4
Molecular Formula:
C12H9N
Molecular Weight:
167.2066
IUPAC Name:
3-propa-1,2-dienylquinoline
InChI:
InChI=1S/C12H9N/c1-2-5-10-8-11-6-3-4-7-12(11)13-9-10/h3-9H,1H2
InChI Key:
FRJMNJPHDKNTQW-UHFFFAOYSA-N
SMILES:
C=C=Cc1cnc2c(c1)cccc2

Properties

Complexity:
215  
Compound Is Canonicalized:
No
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:
2.5  

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