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88940-61-8 | 5-Hexyn-1-ol, 6-(3-quinolinyl)-
CAS No: 88940-61-8 Catalog No: AG0089W2 MDL No:
Product Description
Catalog Number:
AG0089W2
Chemical Name:
5-Hexyn-1-ol, 6-(3-quinolinyl)-
CAS Number:
88940-61-8
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
6-quinolin-3-ylhex-5-yn-1-ol
InChI:
InChI=1S/C15H15NO/c17-10-6-2-1-3-7-13-11-14-8-4-5-9-15(14)16-12-13/h4-5,8-9,11-12,17H,1-2,6,10H2
InChI Key:
CNCHCMOANXTVPQ-UHFFFAOYSA-N
SMILES:
OCCCCC#Cc1cnc2c(c1)cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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