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70437-10-4 | Isoquinoline, 1-(1-hexynyl)-
CAS No: 70437-10-4 Catalog No: AG005UOU MDL No:
Product Description
Catalog Number:
AG005UOU
Chemical Name:
Isoquinoline, 1-(1-hexynyl)-
CAS Number:
70437-10-4
Molecular Formula:
C15H15N
Molecular Weight:
209.2863
IUPAC Name:
1-hex-1-ynylisoquinoline
InChI:
InChI=1S/C15H15N/c1-2-3-4-5-10-15-14-9-7-6-8-13(14)11-12-16-15/h6-9,11-12H,2-4H2,1H3
InChI Key:
OKIXDQWWQDMVCH-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1nccc2c1cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.292g/mol
Monoisotopic Mass:
209.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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